3-(1-hydroxyethyl)-N-(2-phenylpyrimidin-5-yl)pyrrolidine-1-carboxamide

C17H20N4O2 — CID 136521775

IUPAC3-(1-hydroxyethyl)-N-(2-phenylpyrimidin-5-yl)pyrrolidine-1-carboxamide
SMILESCC(O)C1CCN(C(=O)Nc2cnc(-c3ccccc3)nc2)C1
InChIInChI=1S/C17H20N4O2/c1-12(22)14-7-8-21(11-14)17(23)20-15-9-18-16(19-10-15)13-5-3-2-4-6-13/h2-6,9-10,12,14,22H,7-8,11H2,1H3,(H,20,23)
InChIKeyGAECYBHZWAFHLU-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.38
Rot. Bonds3

About 3-(1-hydroxyethyl)-N-(2-phenylpyrimidin-5-yl)pyrrolidine-1-carboxamide

3-(1-hydroxyethyl)-N-(2-phenylpyrimidin-5-yl)pyrrolidine-1-carboxamide (PubChem CID 136521775) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-(1-hydroxyethyl)-N-(2-phenylpyrimidin-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(1-hydroxyethyl)-N-(2-phenylpyrimidin-5-yl)pyrrolidine-1-carboxamide
PubChem CID136521775
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name3-(1-hydroxyethyl)-N-(2-phenylpyrimidin-5-yl)pyrrolidine-1-carboxamide
SMILESCC(O)C1CCN(C(=O)Nc2cnc(-c3ccccc3)nc2)C1
InChIInChI=1S/C17H20N4O2/c1-12(22)14-7-8-21(11-14)17(23)20-15-9-18-16(19-10-15)13-5-3-2-4-6-13/h2-6,9-10,12,14,22H,7-8,11H2,1H3,(H,20,23)
InChIKeyGAECYBHZWAFHLU-UHFFFAOYSA-N
XLogP2.38
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-phenylpyrimidin-5-yl)carbamoyl]piperidine-4-carboxylic acid
CID 122076993
3-hydroxy-N-(2-phenylpyrimidin-5-yl)piperidine-1-carboxamide
CID 48739524
3-(1-hydroxyethyl)-N-(3-phenoxyphenyl)pyrrolidine-1-carboxamide
CID 75503696
1-cyclopropyl-N-(2-phenylpyrimidin-5-yl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide
CID 127623587
(2S)-2-ethyl-N-(2-phenylpyrimidin-5-yl)piperidine-1-carboxamide
CID 97201683
3-methyl-1-[(2-phenylpyrimidin-5-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122076984
4-(1-hydroxyethyl)-N-(3-phenoxyphenyl)piperidine-1-carboxamide
CID 111424875
(3S)-3-[(1R)-1-hydroxyethyl]-N-(3-phenoxyphenyl)piperidine-1-carboxamide
CID 97238064
2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-2-phenylacetic acid
CID 115965924
2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]thiophene-3-carboxylic acid
CID 112626687
1-[1-(oxan-4-yl)ethyl]-3-(2-phenylpyrimidin-5-yl)urea
CID 75381215
N-(2-phenylpyrimidin-5-yl)-2,5-diazabicyclo[2.2.2]octane-2-carboxamide
CID 128871439

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxyethyl)-N-(2-phenylpyrimidin-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(1-hydroxyethyl)-N-(2-phenylpyrimidin-5-yl)pyrrolidine-1-carboxamide (CID 136521775) is 3-(1-hydroxyethyl)-N-(2-phenylpyrimidin-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(1-hydroxyethyl)-N-(2-phenylpyrimidin-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(1-hydroxyethyl)-N-(2-phenylpyrimidin-5-yl)pyrrolidine-1-carboxamide is CC(O)C1CCN(C(=O)Nc2cnc(-c3ccccc3)nc2)C1.
What is the InChIKey of 3-(1-hydroxyethyl)-N-(2-phenylpyrimidin-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is GAECYBHZWAFHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12(22)14-7-8-21(11-14)17(23)20-15-9-18-16(19-10-15)13-5-3-2-4-6-13/h2-6,9-10,12,14,22H,7-8,11H2,1H3,(H,20,23).
What are the key properties of 3-(1-hydroxyethyl)-N-(2-phenylpyrimidin-5-yl)pyrrolidine-1-carboxamide?
3-(1-hydroxyethyl)-N-(2-phenylpyrimidin-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyethyl)-N-(2-phenylpyrimidin-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 136521775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).