2-(4-hydroxyphenyl)-N-(6-methoxypyrimidin-4-yl)pyrrolidine-1-carboxamide

C16H18N4O3 — CID 136562751

IUPAC2-(4-hydroxyphenyl)-N-(6-methoxypyrimidin-4-yl)pyrrolidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCCC2c2ccc(O)cc2)ncn1
InChIInChI=1S/C16H18N4O3/c1-23-15-9-14(17-10-18-15)19-16(22)20-8-2-3-13(20)11-4-6-12(21)7-5-11/h4-7,9-10,13,21H,2-3,8H2,1H3,(H,17,18,19,22)
InChIKeyBWLZIBFUNQHBFY-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.56
Rot. Bonds3

About 2-(4-hydroxyphenyl)-N-(6-methoxypyrimidin-4-yl)pyrrolidine-1-carboxamide

2-(4-hydroxyphenyl)-N-(6-methoxypyrimidin-4-yl)pyrrolidine-1-carboxamide (PubChem CID 136562751) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-N-(6-methoxypyrimidin-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-N-(6-methoxypyrimidin-4-yl)pyrrolidine-1-carboxamide
PubChem CID136562751
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name2-(4-hydroxyphenyl)-N-(6-methoxypyrimidin-4-yl)pyrrolidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCCC2c2ccc(O)cc2)ncn1
InChIInChI=1S/C16H18N4O3/c1-23-15-9-14(17-10-18-15)19-16(22)20-8-2-3-13(20)11-4-6-12(21)7-5-11/h4-7,9-10,13,21H,2-3,8H2,1H3,(H,17,18,19,22)
InChIKeyBWLZIBFUNQHBFY-UHFFFAOYSA-N
XLogP2.56
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4aS,7aS)-N-(6-methoxypyrimidin-4-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 97350302
N-(6-methoxypyrimidin-4-yl)-2,3-dimethylpyrrolidine-1-carboxamide
CID 84600278
(2S)-N-(6-methoxypyridazin-3-yl)-2-pyridin-4-ylazepane-1-carboxamide
CID 99794040
2-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993640
(2S)-2-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxamide
CID 52510173
(2R)-2-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 51856535
(2R)-N-(2,5-dimethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51856460
(2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51855965
4-(3-hydroxyphenyl)-N-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide
CID 138043019
(2R)-2-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide
CID 94080965
(2R)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 51856174
2-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide
CID 50747210

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-N-(6-methoxypyrimidin-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(4-hydroxyphenyl)-N-(6-methoxypyrimidin-4-yl)pyrrolidine-1-carboxamide (CID 136562751) is 2-(4-hydroxyphenyl)-N-(6-methoxypyrimidin-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(4-hydroxyphenyl)-N-(6-methoxypyrimidin-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(4-hydroxyphenyl)-N-(6-methoxypyrimidin-4-yl)pyrrolidine-1-carboxamide is COc1cc(NC(=O)N2CCCC2c2ccc(O)cc2)ncn1.
What is the InChIKey of 2-(4-hydroxyphenyl)-N-(6-methoxypyrimidin-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is BWLZIBFUNQHBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-23-15-9-14(17-10-18-15)19-16(22)20-8-2-3-13(20)11-4-6-12(21)7-5-11/h4-7,9-10,13,21H,2-3,8H2,1H3,(H,17,18,19,22).
What are the key properties of 2-(4-hydroxyphenyl)-N-(6-methoxypyrimidin-4-yl)pyrrolidine-1-carboxamide?
2-(4-hydroxyphenyl)-N-(6-methoxypyrimidin-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-N-(6-methoxypyrimidin-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 136562751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).