N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide;methane;methyl 2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxylate

C63H55Cl3N18O5 — CID 158870569

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide;methane;methyl 2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxylate

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide;methane;methyl 2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxylate (PubChem CID 158870569) has the molecular formula C63H55Cl3N18O5 and a molecular weight of 1250.61 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide;methane;methyl 2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxylate.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide;methane;methyl 2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxylate
• PubChem CID: 158870569
• Molecular Formula: C63H55Cl3N18O5
• Molecular Weight: 1250.61 g/mol
• Exact Mass: 1248.37
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide;methane;methyl 2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxylate
• SMILES: C.C.COC(=O)c1ccnc(Cc2cc(-c3nn[nH]n3)c3ncc(Cl)cc3c2)c1.COC(=O)c1ccnc(Cc2cc(C#N)c3ncc(Cl)cc3c2)c1.Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cc(-c3nn[nH]n3)c3ncc(Cl)cc3c2)c1
• InChI: InChI=1S/C25H22ClN9O.C18H13ClN6O2.C18H12ClN3O2.2CH4/c1-13-5-22(27)31-14(2)21(13)12-30-25(36)16-3-4-28-19(10-16)7-15-6-17-9-18(26)11-29-23(17)20(8-15)24-32-34-35-33-24;1-27-18(26)11-2-3-20-14(8-11)5-10-4-12-7-13(19)9-21-16(12)15(6-10)17-22-24-25-23-17;1-24-18(23)12-2-3-21-16(8-12)6-11-4-13-7-15(19)10-22-17(13)14(5-11)9-20;;/h3-6,8-11H,7,12H2,1-2H3,(H2,27,31)(H,30,36)(H,32,33,34,35);2-4,6-9H,5H2,1H3,(H,22,23,24,25);2-5,7-8,10H,6H2,1H3;2*1H4
• InChIKey: JBUCUMTWDNDAON-UHFFFAOYSA-N
• XLogP: 11.22
• TPSA: 330.66 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1250.61
LogP ≤ 5	11.22
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide;methane;methyl 2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxylate?

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide;methane;methyl 2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxylate (CID 158870569) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide;methane;methyl 2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxylate.

What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide;methane;methyl 2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxylate?

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide;methane;methyl 2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxylate is C.C.COC(=O)c1ccnc(Cc2cc(-c3nn[nH]n3)c3ncc(Cl)cc3c2)c1.COC(=O)c1ccnc(Cc2cc(C#N)c3ncc(Cl)cc3c2)c1.Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cc(-c3nn[nH]n3)c3ncc(Cl)cc3c2)c1.

What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide;methane;methyl 2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxylate?

The InChIKey is JBUCUMTWDNDAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN9O.C18H13ClN6O2.C18H12ClN3O2.2CH4/c1-13-5-22(27)31-14(2)21(13)12-30-25(36)16-3-4-28-19(10-16)7-15-6-17-9-18(26)11-29-23(17)20(8-15)24-32-34-35-33-24;1-27-18(26)11-2-3-20-14(8-11)5-10-4-12-7-13(19)9-21-16(12)15(6-10)17-22-24-25-23-17;1-24-18(23)12-2-3-21-16(8-12)6-11-4-13-7-15(19)10-22-17(13)14(5-11)9-20;;/h3-6,8-11H,7,12H2,1-2H3,(H2,27,31)(H,30,36)(H,32,33,34,35);2-4,6-9H,5H2,1H3,(H,22,23,24,25);2-5,7-8,10H,6H2,1H3;2*1H4.

What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide;methane;methyl 2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxylate?

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide;methane;methyl 2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxylate has a molecular weight of 1250.61 g/mol, XLogP of 11.22, 13 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide;methane;methyl 2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxylate is sourced from PubChem (CID 158870569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).