4-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide

C19H18N4O — CID 109212998

IUPAC4-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESCc1ccccc1Nc1ccnc(C(=O)NCc2cccnc2)c1
InChIInChI=1S/C19H18N4O/c1-14-5-2-3-7-17(14)23-16-8-10-21-18(11-16)19(24)22-13-15-6-4-9-20-12-15/h2-12H,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyCPNORHDWFMUIMM-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.46
Rot. Bonds5

About 4-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide

4-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (PubChem CID 109212998) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
PubChem CID109212998
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name4-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESCc1ccccc1Nc1ccnc(C(=O)NCc2cccnc2)c1
InChIInChI=1S/C19H18N4O/c1-14-5-2-3-7-17(14)23-16-8-10-21-18(11-16)19(24)22-13-15-6-4-9-20-12-15/h2-12H,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyCPNORHDWFMUIMM-UHFFFAOYSA-N
XLogP3.46
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109350032
4-(4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109213087
4-(3,4-dichloroanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109213080
2-methyl-6-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109371117
N-(furan-2-ylmethyl)-4-(2-methylanilino)pyridine-2-carboxamide
CID 109209341
4-(3,4-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109213046
4-(propylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 62185886
N-(pyridin-3-ylmethyl)-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109213049
4-(4-propan-2-yloxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109213043
5-(2,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191218
4-chloro-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 25345003
4-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109213313

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 4-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (CID 109212998) is 4-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is Cc1ccccc1Nc1ccnc(C(=O)NCc2cccnc2)c1.
What is the InChIKey of 4-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The InChIKey is CPNORHDWFMUIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-14-5-2-3-7-17(14)23-16-8-10-21-18(11-16)19(24)22-13-15-6-4-9-20-12-15/h2-12H,13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 4-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
4-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109212998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).