N-[(3-chloro-2-pyridinyl)methyl]-1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carboxamide

C20H18ClN3O3 — CID 172666735

IUPACN-[(3-chloro-2-pyridinyl)methyl]-1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carboxamide
SMILESCOc1ccccc1-n1ccc(C)c(C(=O)NCc2ncccc2Cl)c1=O
InChIInChI=1S/C20H18ClN3O3/c1-13-9-11-24(16-7-3-4-8-17(16)27-2)20(26)18(13)19(25)23-12-15-14(21)6-5-10-22-15/h3-11H,12H2,1-2H3,(H,23,25)
InChIKeyPZJOMMNWZFXUDV-UHFFFAOYSA-N
MW383.84 g/mol
LogP3.13
Rot. Bonds5

About N-[(3-chloro-2-pyridinyl)methyl]-1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carboxamide

N-[(3-chloro-2-pyridinyl)methyl]-1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carboxamide (PubChem CID 172666735) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is N-[(3-chloro-2-pyridinyl)methyl]-1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-2-pyridinyl)methyl]-1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carboxamide
PubChem CID172666735
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC NameN-[(3-chloro-2-pyridinyl)methyl]-1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carboxamide
SMILESCOc1ccccc1-n1ccc(C)c(C(=O)NCc2ncccc2Cl)c1=O
InChIInChI=1S/C20H18ClN3O3/c1-13-9-11-24(16-7-3-4-8-17(16)27-2)20(26)18(13)19(25)23-12-15-14(21)6-5-10-22-15/h3-11H,12H2,1-2H3,(H,23,25)
InChIKeyPZJOMMNWZFXUDV-UHFFFAOYSA-N
XLogP3.13
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenyl)-4-methyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-oxopyridine-3-carboxamide
CID 172674309
1-(2-methoxyphenyl)-4-methyl-2-oxo-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-carboxamide
CID 172669693
N-[2-(2-hydroxyethyl)phenyl]-1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172672235
1-(2-methoxyphenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-2-oxopyridine-3-carboxamide
CID 172658075
methyl 1-[1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonyl]azetidine-3-carboxylate
CID 172656047
N-(3-acetamido-4-fluorophenyl)-1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 175645549
1-(2,3-dihydro-1H-inden-4-yl)-N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-2-oxopyridine-3-carboxamide
CID 172658005
1-(2-methoxyphenyl)-4-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-2-oxopyridine-3-carboxamide;hydrochloride
CID 172911869
N-[(3-chloro-2-pyridinyl)methyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
CID 170505961
1-(2-methoxyphenyl)-N,4-dimethyl-2-oxo-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide
CID 172661925
3-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazine-1-carbonyl]-1-(2-methoxyphenyl)-4-methylpyridin-2-one
CID 172671190
1-(2-methoxyphenyl)-4-methyl-3-[3-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]pyridin-2-one
CID 172660066

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-pyridinyl)methyl]-1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[(3-chloro-2-pyridinyl)methyl]-1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carboxamide (CID 172666735) is N-[(3-chloro-2-pyridinyl)methyl]-1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(3-chloro-2-pyridinyl)methyl]-1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(3-chloro-2-pyridinyl)methyl]-1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carboxamide is COc1ccccc1-n1ccc(C)c(C(=O)NCc2ncccc2Cl)c1=O.
What is the InChIKey of N-[(3-chloro-2-pyridinyl)methyl]-1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is PZJOMMNWZFXUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c1-13-9-11-24(16-7-3-4-8-17(16)27-2)20(26)18(13)19(25)23-12-15-14(21)6-5-10-22-15/h3-11H,12H2,1-2H3,(H,23,25).
What are the key properties of N-[(3-chloro-2-pyridinyl)methyl]-1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carboxamide?
N-[(3-chloro-2-pyridinyl)methyl]-1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 383.84 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-pyridinyl)methyl]-1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172666735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).