N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane;methane

C52H53Cl2FN18O3 — CID 158573364

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;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane;methane

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane;methane (PubChem CID 158573364) has the molecular formula C52H53Cl2FN18O3 and a molecular weight of 1069.03 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;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane;methane.

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;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane;methane
• PubChem CID: 158573364
• Molecular Formula: C52H53Cl2FN18O3
• Molecular Weight: 1069.03 g/mol
• Exact Mass: 1067.40
• 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;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane;methane
• SMILES: C.Cc1cc(N)nc(C)c1CN.Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cc(-c3nn[nH]n3)c3ncc(Cl)cc3c2)c1.O=C(O)c1ccnc(Cc2cc(-c3nn[nH]n3)c3ncc(Cl)cc3c2)c1.[2H]CF
• InChI: InChI=1S/C25H22ClN9O.C17H11ClN6O2.C8H13N3.CH3F.CH4/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;18-12-6-11-3-9(4-13-7-10(17(25)26)1-2-19-13)5-14(15(11)20-8-12)16-21-23-24-22-16;1-5-3-8(10)11-6(2)7(5)4-9;1-2;/h3-6,8-11H,7,12H2,1-2H3,(H2,27,31)(H,30,36)(H,32,33,34,35);1-3,5-8H,4H2,(H,25,26)(H,21,22,23,24);3H,4,9H2,1-2H3,(H2,10,11);1H3;1H4/i;;;1D
• InChIKey: HSIXNWAKJDMNAP-JLMMQWLNSA-N
• XLogP: 8.29
• TPSA: 330.72 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 11
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1069.03
LogP ≤ 5	8.29
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

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;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane;methane?

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;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane;methane (CID 158573364) 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;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane;methane.

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;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane;methane?

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;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane;methane is C.Cc1cc(N)nc(C)c1CN.Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cc(-c3nn[nH]n3)c3ncc(Cl)cc3c2)c1.O=C(O)c1ccnc(Cc2cc(-c3nn[nH]n3)c3ncc(Cl)cc3c2)c1.[2H]CF.

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;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane;methane?

The InChIKey is HSIXNWAKJDMNAP-JLMMQWLNSA-N. The full InChI is InChI=1S/C25H22ClN9O.C17H11ClN6O2.C8H13N3.CH3F.CH4/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;18-12-6-11-3-9(4-13-7-10(17(25)26)1-2-19-13)5-14(15(11)20-8-12)16-21-23-24-22-16;1-5-3-8(10)11-6(2)7(5)4-9;1-2;/h3-6,8-11H,7,12H2,1-2H3,(H2,27,31)(H,30,36)(H,32,33,34,35);1-3,5-8H,4H2,(H,25,26)(H,21,22,23,24);3H,4,9H2,1-2H3,(H2,10,11);1H3;1H4/i;;;1D;.

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;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane;methane?

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane;methane has a molecular weight of 1069.03 g/mol, XLogP of 8.29, 11 rotatable bonds, 7 hydrogen bond donors, and 17 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;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane;methane is sourced from PubChem (CID 158573364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).