N-[(4-chloro-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-1-[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(3-fluoro-5-methyl-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(5-fluoro-3-methyl-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine

C112H155ClF2N16 — CID 157466101

About N-[(4-chloro-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-1-[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(3-fluoro-5-methyl-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(5-fluoro-3-methyl-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine

N-[(4-chloro-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-1-[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(3-fluoro-5-methyl-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(5-fluoro-3-methyl-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine (PubChem CID 157466101) has the molecular formula C112H155ClF2N16 and a molecular weight of 1799.03 g/mol. Its IUPAC name is N-[(4-chloro-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-1-[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(3-fluoro-5-methyl-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(5-fluoro-3-methyl-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine.

Molecular Properties

• Compound Name: N-[(4-chloro-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-1-[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(3-fluoro-5-methyl-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(5-fluoro-3-methyl-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine
• PubChem CID: 157466101
• Molecular Formula: C112H155ClF2N16
• Molecular Weight: 1799.03 g/mol
• Exact Mass: 1797.23
• IUPAC Name: N-[(4-chloro-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-1-[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(3-fluoro-5-methyl-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(5-fluoro-3-methyl-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine
• SMILES: CCCCCN(Cc1cc(Cl)ccn1)C[C@H]1Cc2ccccc2CN1.CCCCCN(Cc1ncc(C)cc1C)C[C@H]1Cc2ccccc2CN1.CCCCCN(Cc1ncc(C)cc1F)C[C@H]1Cc2ccccc2CN1.CCCCCN(Cc1ncc(F)cc1C)C[C@H]1Cc2ccccc2CN1.Cc1cnc(CN(C)C[C@H]2Cc3c(cccc3N3CCCCC3)CN2)c(C)c1
• InChI: InChI=1S/C24H34N4.C23H33N3.2C22H30FN3.C21H28ClN3/c1-18-12-19(2)23(26-14-18)17-27(3)16-21-13-22-20(15-25-21)8-7-9-24(22)28-10-5-4-6-11-28;1-4-5-8-11-26(17-23-19(3)12-18(2)14-25-23)16-22-13-20-9-6-7-10-21(20)15-24-22;1-3-4-7-10-26(16-22-17(2)11-20(23)14-25-22)15-21-12-18-8-5-6-9-19(18)13-24-21;1-3-4-7-10-26(16-22-21(23)11-17(2)13-25-22)15-20-12-18-8-5-6-9-19(18)14-24-20;1-2-3-6-11-25(16-21-13-19(22)9-10-23-21)15-20-12-17-7-4-5-8-18(17)14-24-20/h7-9,12,14,21,25H,4-6,10-11,13,15-17H2,1-3H3;6-7,9-10,12,14,22,24H,4-5,8,11,13,15-17H2,1-3H3;5-6,8-9,11,14,21,24H,3-4,7,10,12-13,15-16H2,1-2H3;5-6,8-9,11,13,20,24H,3-4,7,10,12,14-16H2,1-2H3;4-5,7-10,13,20,24H,2-3,6,11-12,14-16H2,1H3/t21-;22-;21-;2*20-/m11111/s1
• InChIKey: BUMOVPKUXHBQLF-CNXDNINKSA-N
• XLogP: 21.15
• TPSA: 144.04 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 37
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1799.03
LogP ≤ 5	21.15
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-1-[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(3-fluoro-5-methyl-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(5-fluoro-3-methyl-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine?

The IUPAC name of N-[(4-chloro-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-1-[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(3-fluoro-5-methyl-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(5-fluoro-3-methyl-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine (CID 157466101) is N-[(4-chloro-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-1-[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(3-fluoro-5-methyl-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(5-fluoro-3-methyl-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine.

What is the SMILES notation for N-[(4-chloro-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-1-[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(3-fluoro-5-methyl-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(5-fluoro-3-methyl-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine?

The canonical SMILES for N-[(4-chloro-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-1-[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(3-fluoro-5-methyl-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(5-fluoro-3-methyl-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine is CCCCCN(Cc1cc(Cl)ccn1)C[C@H]1Cc2ccccc2CN1.CCCCCN(Cc1ncc(C)cc1C)C[C@H]1Cc2ccccc2CN1.CCCCCN(Cc1ncc(C)cc1F)C[C@H]1Cc2ccccc2CN1.CCCCCN(Cc1ncc(F)cc1C)C[C@H]1Cc2ccccc2CN1.Cc1cnc(CN(C)C[C@H]2Cc3c(cccc3N3CCCCC3)CN2)c(C)c1.

What is the InChIKey of N-[(4-chloro-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-1-[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(3-fluoro-5-methyl-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(5-fluoro-3-methyl-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine?

The InChIKey is BUMOVPKUXHBQLF-CNXDNINKSA-N. The full InChI is InChI=1S/C24H34N4.C23H33N3.2C22H30FN3.C21H28ClN3/c1-18-12-19(2)23(26-14-18)17-27(3)16-21-13-22-20(15-25-21)8-7-9-24(22)28-10-5-4-6-11-28;1-4-5-8-11-26(17-23-19(3)12-18(2)14-25-23)16-22-13-20-9-6-7-10-21(20)15-24-22;1-3-4-7-10-26(16-22-17(2)11-20(23)14-25-22)15-21-12-18-8-5-6-9-19(18)13-24-21;1-3-4-7-10-26(16-22-21(23)11-17(2)13-25-22)15-20-12-18-8-5-6-9-19(18)14-24-20;1-2-3-6-11-25(16-21-13-19(22)9-10-23-21)15-20-12-17-7-4-5-8-18(17)14-24-20/h7-9,12,14,21,25H,4-6,10-11,13,15-17H2,1-3H3;6-7,9-10,12,14,22,24H,4-5,8,11,13,15-17H2,1-3H3;5-6,8-9,11,14,21,24H,3-4,7,10,12-13,15-16H2,1-2H3;5-6,8-9,11,13,20,24H,3-4,7,10,12,14-16H2,1-2H3;4-5,7-10,13,20,24H,2-3,6,11-12,14-16H2,1H3/t21-;22-;21-;2*20-/m11111/s1.

What are the key properties of N-[(4-chloro-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-1-[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(3-fluoro-5-methyl-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(5-fluoro-3-methyl-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine?

N-[(4-chloro-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-1-[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(3-fluoro-5-methyl-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(5-fluoro-3-methyl-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine has a molecular weight of 1799.03 g/mol, XLogP of 21.15, 37 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-chloro-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-1-[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;N-[(3,5-dimethyl-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(3-fluoro-5-methyl-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(5-fluoro-3-methyl-2-pyridinyl)methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine is sourced from PubChem (CID 157466101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).