2-(2-methoxyanilino)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide

C24H23N5O2 — CID 56585498

IUPAC2-(2-methoxyanilino)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide
SMILESCOc1ccccc1Nc1ncccc1C(=O)Nc1ccc(Cn2ccnc2C)cc1
InChIInChI=1S/C24H23N5O2/c1-17-25-14-15-29(17)16-18-9-11-19(12-10-18)27-24(30)20-6-5-13-26-23(20)28-21-7-3-4-8-22(21)31-2/h3-15H,16H2,1-2H3,(H,26,28)(H,27,30)
InChIKeyJLIMACLUCGWVRD-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.64
Rot. Bonds7

About 2-(2-methoxyanilino)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide

2-(2-methoxyanilino)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide (PubChem CID 56585498) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyanilino)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide
PubChem CID56585498
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name2-(2-methoxyanilino)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide
SMILESCOc1ccccc1Nc1ncccc1C(=O)Nc1ccc(Cn2ccnc2C)cc1
InChIInChI=1S/C24H23N5O2/c1-17-25-14-15-29(17)16-18-9-11-19(12-10-18)27-24(30)20-6-5-13-26-23(20)28-21-7-3-4-8-22(21)31-2/h3-15H,16H2,1-2H3,(H,26,28)(H,27,30)
InChIKeyJLIMACLUCGWVRD-UHFFFAOYSA-N
XLogP4.64
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-2-(2-methoxyanilino)pyridine-3-carboxamide
CID 23632593
N-(3,4-dichlorophenyl)-2-(2-methoxyanilino)pyridine-3-carboxamide
CID 23632728
2-(2-methoxyanilino)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]pyridine-3-carboxamide
CID 55968205
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyanilino)pyridine-3-carboxamide
CID 55394070
2-(2-methoxyanilino)-N-propylpyridine-3-carboxamide
CID 32736796
N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 56583372
2-(2,6-dimethylanilino)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 23632545
2-(2-methylanilino)-N-phenylpyridine-3-carboxamide
CID 23632378
[2-(4-hydroxyanilino)-2-oxoethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate
CID 27908502
(4-benzylpiperazin-1-yl)-[2-(2-methoxyanilino)-3-pyridinyl]methanone
CID 29264109
4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylmethoxyphenyl)benzamide
CID 43922241
4-[(2-methylimidazol-1-yl)methyl]-N-(2-methylphenyl)benzamide
CID 43919010

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-(2-methoxyanilino)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide (CID 56585498) is 2-(2-methoxyanilino)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-methoxyanilino)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(2-methoxyanilino)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide is COc1ccccc1Nc1ncccc1C(=O)Nc1ccc(Cn2ccnc2C)cc1.
What is the InChIKey of 2-(2-methoxyanilino)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is JLIMACLUCGWVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-17-25-14-15-29(17)16-18-9-11-19(12-10-18)27-24(30)20-6-5-13-26-23(20)28-21-7-3-4-8-22(21)31-2/h3-15H,16H2,1-2H3,(H,26,28)(H,27,30).
What are the key properties of 2-(2-methoxyanilino)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide?
2-(2-methoxyanilino)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 56585498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).