N-[1-(4-chlorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-6-methoxypyridine-3-carboxamide

C20H19ClN4O3 — CID 136816353

IUPACN-[1-(4-chlorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NC(Cc2cc(=O)[nH]c(C)n2)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C20H19ClN4O3/c1-12-23-16(10-18(26)24-12)9-17(13-3-6-15(21)7-4-13)25-20(27)14-5-8-19(28-2)22-11-14/h3-8,10-11,17H,9H2,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyOPQGROSCFQTZCH-UHFFFAOYSA-N
MW398.85 g/mol
LogP2.85
Rot. Bonds6

About N-[1-(4-chlorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-6-methoxypyridine-3-carboxamide

N-[1-(4-chlorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-6-methoxypyridine-3-carboxamide (PubChem CID 136816353) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-6-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-6-methoxypyridine-3-carboxamide
PubChem CID136816353
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC NameN-[1-(4-chlorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NC(Cc2cc(=O)[nH]c(C)n2)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C20H19ClN4O3/c1-12-23-16(10-18(26)24-12)9-17(13-3-6-15(21)7-4-13)25-20(27)14-5-8-19(28-2)22-11-14/h3-8,10-11,17H,9H2,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyOPQGROSCFQTZCH-UHFFFAOYSA-N
XLogP2.85
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(4-chlorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-6-methoxypyridine-3-carboxamide with MolForge

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Related Compounds

6-methoxy-N-[(1R)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]pyridine-3-carboxamide
CID 136850258
N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]pyridine-2-carboxamide
CID 136816281
2-ethoxy-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]benzamide
CID 136816308
N'-(4-chlorobenzoyl)-6-methoxypyridine-3-carbohydrazide
CID 27007451
N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]isoquinoline-1-carboxamide
CID 136816284
5-tert-butyl-N-[(1S)-1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 136763798
N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 136816288
N-[(1R)-1-(4-chlorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(1-ethylindol-3-yl)acetamide
CID 136735112
2-(3-methoxyphenyl)-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]acetamide
CID 136816310
3-(3,4-dimethoxyphenyl)-3-[(6-methoxypyridine-3-carbonyl)amino]propanoic acid
CID 119107474
methyl 3-(3,4-dimethoxyphenyl)-3-[(6-methoxypyridine-3-carbonyl)amino]propanoate
CID 17439253
4-[(2S)-2-(4-chlorophenyl)-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]ethyl]-2-methyl-1H-pyrimidin-6-one
CID 136763766

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-6-methoxypyridine-3-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-6-methoxypyridine-3-carboxamide (CID 136816353) is N-[1-(4-chlorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-6-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-6-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-6-methoxypyridine-3-carboxamide is COc1ccc(C(=O)NC(Cc2cc(=O)[nH]c(C)n2)c2ccc(Cl)cc2)cn1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-6-methoxypyridine-3-carboxamide?
The InChIKey is OPQGROSCFQTZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c1-12-23-16(10-18(26)24-12)9-17(13-3-6-15(21)7-4-13)25-20(27)14-5-8-19(28-2)22-11-14/h3-8,10-11,17H,9H2,1-2H3,(H,25,27)(H,23,24,26).
What are the key properties of N-[1-(4-chlorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-6-methoxypyridine-3-carboxamide?
N-[1-(4-chlorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-6-methoxypyridine-3-carboxamide has a molecular weight of 398.85 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-6-methoxypyridine-3-carboxamide is sourced from PubChem (CID 136816353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).