2-[benzyl(methyl)amino]-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide

C22H23N3O3 — CID 109170343

IUPAC2-[benzyl(methyl)amino]-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccnc(N(C)Cc3ccccc3)c2)c1
InChIInChI=1S/C22H23N3O3/c1-25(15-16-7-5-4-6-8-16)21-13-17(11-12-23-21)22(26)24-19-14-18(27-2)9-10-20(19)28-3/h4-14H,15H2,1-3H3,(H,24,26)
InChIKeyDCOIVMVWBCMSHX-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.99
Rot. Bonds7

About 2-[benzyl(methyl)amino]-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide

2-[benzyl(methyl)amino]-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide (PubChem CID 109170343) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide
PubChem CID109170343
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2-[benzyl(methyl)amino]-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccnc(N(C)Cc3ccccc3)c2)c1
InChIInChI=1S/C22H23N3O3/c1-25(15-16-7-5-4-6-8-16)21-13-17(11-12-23-21)22(26)24-19-14-18(27-2)9-10-20(19)28-3/h4-14H,15H2,1-3H3,(H,24,26)
InChIKeyDCOIVMVWBCMSHX-UHFFFAOYSA-N
XLogP3.99
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-[benzyl(methyl)amino]pyridine-4-carbonyl]amino]benzoate
CID 109170353
2-N-(2,5-dimethoxyphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
CID 109090853
2-[benzyl(methyl)amino]-N-quinolin-8-ylpyridine-4-carboxamide
CID 109170363
2-[benzyl(ethyl)amino]-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109306756
2-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 60709004
N-(5-chloro-2-methoxyphenyl)-2-(N-methylanilino)pyridine-4-carboxamide
CID 109176387
N-benzyl-2-(2,5-dimethoxyanilino)-N-methylpyridine-4-carboxamide
CID 109170260
2-N-(2,5-dimethoxyphenyl)-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109091438
4-N-(2,5-dimethoxyphenyl)-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092655
5-[benzyl(methyl)amino]-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 109233239
N-(2,5-dimethoxyphenyl)-2-(N-methylanilino)pyrimidine-5-carboxamide
CID 109266003
2-[benzyl(ethyl)amino]-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109171593

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide (CID 109170343) is 2-[benzyl(methyl)amino]-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide is COc1ccc(OC)c(NC(=O)c2ccnc(N(C)Cc3ccccc3)c2)c1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide?
The InChIKey is DCOIVMVWBCMSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-25(15-16-7-5-4-6-8-16)21-13-17(11-12-23-21)22(26)24-19-14-18(27-2)9-10-20(19)28-3/h4-14H,15H2,1-3H3,(H,24,26).
What are the key properties of 2-[benzyl(methyl)amino]-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide?
2-[benzyl(methyl)amino]-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109170343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).