N-(4-chloro-2-methoxy-5-methylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide

C20H19ClN4O2 — CID 109171981

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1ccnc(NCc2cccnc2)c1
InChIInChI=1S/C20H19ClN4O2/c1-13-8-17(18(27-2)10-16(13)21)25-20(26)15-5-7-23-19(9-15)24-12-14-4-3-6-22-11-14/h3-11H,12H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyGRBIRUQOXXNHLX-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.31
Rot. Bonds6

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide (PubChem CID 109171981) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
PubChem CID109171981
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1ccnc(NCc2cccnc2)c1
InChIInChI=1S/C20H19ClN4O2/c1-13-8-17(18(27-2)10-16(13)21)25-20(26)15-5-7-23-19(9-15)24-12-14-4-3-6-22-11-14/h3-11H,12H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyGRBIRUQOXXNHLX-UHFFFAOYSA-N
XLogP4.31
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dichlorophenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109171976
N-(2,6-dichlorophenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109171978
N-(4-bromo-2-methylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109171966
N-(2-bromophenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109171963
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-fluoroanilino)pyridine-4-carboxamide
CID 109177274
4-(4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109213087
2-[(4-chlorophenyl)methylamino]-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 109170966
3-N-(4-chloro-2-methoxy-5-methylphenyl)-5-N-(pyridin-3-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112952303
4-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919708
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 23773445
N-(2-methoxy-4,5-dimethylphenyl)pyridine-3-carboxamide
CID 110776826
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide
CID 9083792

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide (CID 109171981) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)c1ccnc(NCc2cccnc2)c1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide?
The InChIKey is GRBIRUQOXXNHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-13-8-17(18(27-2)10-16(13)21)25-20(26)15-5-7-23-19(9-15)24-12-14-4-3-6-22-11-14/h3-11H,12H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 109171981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).