N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide

C20H20N4O2S — CID 166261151

IUPACN-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide
SMILESCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3ccc(C4CCCN4)s3)c2)n1
InChIInChI=1S/C20H20N4O2S/c1-12-10-18(25)24-19(22-12)13-4-2-5-14(11-13)23-20(26)17-8-7-16(27-17)15-6-3-9-21-15/h2,4-5,7-8,10-11,15,21H,3,6,9H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyYZHUMZBXUFIAON-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.48
Rot. Bonds4

About N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide

N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide (PubChem CID 166261151) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide
PubChem CID166261151
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC NameN-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide
SMILESCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3ccc(C4CCCN4)s3)c2)n1
InChIInChI=1S/C20H20N4O2S/c1-12-10-18(25)24-19(22-12)13-4-2-5-14(11-13)23-20(26)17-8-7-16(27-17)15-6-3-9-21-15/h2,4-5,7-8,10-11,15,21H,3,6,9H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyYZHUMZBXUFIAON-UHFFFAOYSA-N
XLogP3.48
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dimethyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]thiophene-2-carboxamide
CID 136731179
N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclohexanecarboxamide
CID 136734003
2-hydroxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide
CID 136741983
N-(6-oxo-1H-pyridin-3-yl)-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 166305537
2,6-dimethoxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]benzamide
CID 136773095
(1S)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclohex-3-ene-1-carboxamide
CID 136733997
N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 45189077
(2S,3S)-2-methyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 136804360
4-methyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-oxochromene-3-carboxamide
CID 136512991
N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 137094562
cis-(1S,3R)-2,2-dimethyl-3-[[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 136887824
N,N,4-trimethyl-2-[[5-[(2S)-pyrrolidin-2-yl]thiophene-2-carbonyl]amino]-1,3-thiazole-5-carboxamide
CID 31044771

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide?
The IUPAC name of N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide (CID 166261151) is N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide is Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3ccc(C4CCCN4)s3)c2)n1.
What is the InChIKey of N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide?
The InChIKey is YZHUMZBXUFIAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-12-10-18(25)24-19(22-12)13-4-2-5-14(11-13)23-20(26)17-8-7-16(27-17)15-6-3-9-21-15/h2,4-5,7-8,10-11,15,21H,3,6,9H2,1H3,(H,23,26)(H,22,24,25).
What are the key properties of N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide?
N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 3.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 166261151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).