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

C23H21N5O2 — CID 172659920

IUPAC4-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccn(Cc2cccnc2)c(=O)c1C(=O)Nc1ccc(-n2ccnc2C)cc1
InChIInChI=1S/C23H21N5O2/c1-16-9-12-27(15-18-4-3-10-24-14-18)23(30)21(16)22(29)26-19-5-7-20(8-6-19)28-13-11-25-17(28)2/h3-14H,15H2,1-2H3,(H,26,29)
InChIKeyLRZJPMPUNNTLBL-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.35
Rot. Bonds5

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

4-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 172659920) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 4-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID172659920
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name4-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccn(Cc2cccnc2)c(=O)c1C(=O)Nc1ccc(-n2ccnc2C)cc1
InChIInChI=1S/C23H21N5O2/c1-16-9-12-27(15-18-4-3-10-24-14-18)23(30)21(16)22(29)26-19-5-7-20(8-6-19)28-13-11-25-17(28)2/h3-14H,15H2,1-2H3,(H,26,29)
InChIKeyLRZJPMPUNNTLBL-UHFFFAOYSA-N
XLogP3.35
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 172659977
4-methyl-2-oxo-1-(2-phenylethyl)-N-pyridin-3-ylpyridine-3-carboxamide
CID 172656157
4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-pyridin-3-ylpyridine-3-carboxamide
CID 172671758
4-methyl-2-oxo-1-(pyridin-3-ylmethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-carboxamide
CID 172666114
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 172658355
3-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-4-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one
CID 172661390
N-[(1-benzylimidazol-2-yl)methyl]-N,4-dimethyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 172664117
4-methyl-3-(3-pyridin-2-ylazetidine-1-carbonyl)-1-(pyridin-3-ylmethyl)pyridin-2-one
CID 172661996
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyridine-3-carboxamide
CID 53159101
4-methyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 172670127
4-methyl-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 172670722
N-[4-(2-methylimidazol-1-yl)phenyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 35532104

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 4-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 172659920) is 4-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide is Cc1ccn(Cc2cccnc2)c(=O)c1C(=O)Nc1ccc(-n2ccnc2C)cc1.
What is the InChIKey of 4-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is LRZJPMPUNNTLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-16-9-12-27(15-18-4-3-10-24-14-18)23(30)21(16)22(29)26-19-5-7-20(8-6-19)28-13-11-25-17(28)2/h3-14H,15H2,1-2H3,(H,26,29).
What are the key properties of 4-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
4-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 172659920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).