5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane

C73H63Cl3N18O4 — CID 157272111

IUPAC5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane
SMILESC.Cc1nc(N)ccc1CN.Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(C#N)c3ncc(Cl)cc3c2)c1.Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(C#N)c3ncc(Cl)cc3c2)c1.N#Cc1cc(Cc2cc(C(=O)O)ccn2)cc2cc(Cl)cnc12
InChIInChI=1S/2C24H19ClN6O.C17H10ClN3O2.C7H11N3.CH4/c2*1-14-17(2-3-22(27)31-14)12-30-24(32)16-4-5-28-21(10-16)8-15-6-18-9-20(25)13-29-23(18)19(7-15)11-26;18-14-6-12-3-10(4-13(8-19)16(12)21-9-14)5-15-7-11(17(22)23)1-2-20-15;1-5-6(4-8)2-3-7(9)10-5;/h2*2-7,9-10,13H,8,12H2,1H3,(H2,27,31)(H,30,32);1-4,6-7,9H,5H2,(H,22,23);2-3H,4,8H2,1H3,(H2,9,10);1H4
InChIKeyAYQXHVUJLIMKNE-UHFFFAOYSA-N
MW1362.79 g/mol
LogP12.43
Rot. Bonds14

About 5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane

5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane (PubChem CID 157272111) has the molecular formula C73H63Cl3N18O4 and a molecular weight of 1362.79 g/mol. Its IUPAC name is 5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane.

Molecular Properties

Compound Name5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane
PubChem CID157272111
Molecular FormulaC73H63Cl3N18O4
Molecular Weight1362.79 g/mol
Exact Mass1360.43
IUPAC Name5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane
SMILESC.Cc1nc(N)ccc1CN.Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(C#N)c3ncc(Cl)cc3c2)c1.Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(C#N)c3ncc(Cl)cc3c2)c1.N#Cc1cc(Cc2cc(C(=O)O)ccn2)cc2cc(Cl)cnc12
InChIInChI=1S/2C24H19ClN6O.C17H10ClN3O2.C7H11N3.CH4/c2*1-14-17(2-3-22(27)31-14)12-30-24(32)16-4-5-28-21(10-16)8-15-6-18-9-20(25)13-29-23(18)19(7-15)11-26;18-14-6-12-3-10(4-13(8-19)16(12)21-9-14)5-15-7-11(17(22)23)1-2-20-15;1-5-6(4-8)2-3-7(9)10-5;/h2*2-7,9-10,13H,8,12H2,1H3,(H2,27,31)(H,30,32);1-4,6-7,9H,5H2,(H,22,23);2-3H,4,8H2,1H3,(H2,9,10);1H4
InChIKeyAYQXHVUJLIMKNE-UHFFFAOYSA-N
XLogP12.43
TPSA386.96 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds14
Heavy Atoms98
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001362.79
LogP ≤ 512.43
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Analyze 5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane with MolForge

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Related Compounds

US10023557, Example 53
CID 118665126
US10023557, Example 56
CID 118665146
US10023557, Example 93
CID 118665155
US10023557, Example 95
CID 118665172
US10023557, Example 50
CID 118665177
US10023557, Example 94
CID 118665190
US10023557, Example 92
CID 118665210
US10023557, Example 26
CID 118665238
US10023557, Example 97
CID 118665282
US10023557, Example 96
CID 118665320
US10023557, Example 84
CID 118665404
US10023557, Example 207
CID 124181913

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane?
The IUPAC name of 5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane (CID 157272111) is 5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane.
What is the SMILES notation for 5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane?
The canonical SMILES for 5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane is C.Cc1nc(N)ccc1CN.Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(C#N)c3ncc(Cl)cc3c2)c1.Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cc(C#N)c3ncc(Cl)cc3c2)c1.N#Cc1cc(Cc2cc(C(=O)O)ccn2)cc2cc(Cl)cnc12.
What is the InChIKey of 5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane?
The InChIKey is AYQXHVUJLIMKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H19ClN6O.C17H10ClN3O2.C7H11N3.CH4/c2*1-14-17(2-3-22(27)31-14)12-30-24(32)16-4-5-28-21(10-16)8-15-6-18-9-20(25)13-29-23(18)19(7-15)11-26;18-14-6-12-3-10(4-13(8-19)16(12)21-9-14)5-15-7-11(17(22)23)1-2-20-15;1-5-6(4-8)2-3-7(9)10-5;/h2*2-7,9-10,13H,8,12H2,1H3,(H2,27,31)(H,30,32);1-4,6-7,9H,5H2,(H,22,23);2-3H,4,8H2,1H3,(H2,9,10);1H4.
What are the key properties of 5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane?
5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane has a molecular weight of 1362.79 g/mol, XLogP of 12.43, 14 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxamide);2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane is sourced from PubChem (CID 157272111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).