5-(aminomethyl)-6-methylpyridin-2-amine;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

C49H44Cl2N12O3 — CID 157058245

IUPAC5-(aminomethyl)-6-methylpyridin-2-amine;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.N#Cc1cc(Cc2cc(C(=O)O)ccn2)cc2cc(Cl)cnc12
InChIInChI=1S/C24H19ClN6O.C17H10ClN3O2.C7H11N3.CH4/c1-14-17(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;/h2-7,9-10,13H,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
InChIKeyAAZWEUFKSUFDHL-UHFFFAOYSA-N
MW919.88 g/mol
LogP8.47
Rot. Bonds9

About 5-(aminomethyl)-6-methylpyridin-2-amine;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;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 157058245) has the molecular formula C49H44Cl2N12O3 and a molecular weight of 919.88 g/mol. Its IUPAC name is 5-(aminomethyl)-6-methylpyridin-2-amine;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;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 CID157058245
Molecular FormulaC49H44Cl2N12O3
Molecular Weight919.88 g/mol
Exact Mass918.30
IUPAC Name5-(aminomethyl)-6-methylpyridin-2-amine;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.N#Cc1cc(Cc2cc(C(=O)O)ccn2)cc2cc(Cl)cnc12
InChIInChI=1S/C24H19ClN6O.C17H10ClN3O2.C7H11N3.CH4/c1-14-17(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;/h2-7,9-10,13H,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
InChIKeyAAZWEUFKSUFDHL-UHFFFAOYSA-N
XLogP8.47
TPSA269.38 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500919.88
LogP ≤ 58.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze 5-(aminomethyl)-6-methylpyridin-2-amine;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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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-6-methylpyridin-2-amine;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;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 157058245) is 5-(aminomethyl)-6-methylpyridin-2-amine;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;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;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.N#Cc1cc(Cc2cc(C(=O)O)ccn2)cc2cc(Cl)cnc12.
What is the InChIKey of 5-(aminomethyl)-6-methylpyridin-2-amine;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 AAZWEUFKSUFDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN6O.C17H10ClN3O2.C7H11N3.CH4/c1-14-17(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;/h2-7,9-10,13H,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;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;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 919.88 g/mol, XLogP of 8.47, 9 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-6-methylpyridin-2-amine;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 157058245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).