(3S)-1-ethyl-5-oxo-N-(2-phenylpyrimidin-5-yl)pyrrolidine-3-carboxamide

C17H18N4O2 — CID 94092655

IUPAC(3S)-1-ethyl-5-oxo-N-(2-phenylpyrimidin-5-yl)pyrrolidine-3-carboxamide
SMILESCCN1C[C@@H](C(=O)Nc2cnc(-c3ccccc3)nc2)CC1=O
InChIInChI=1S/C17H18N4O2/c1-2-21-11-13(8-15(21)22)17(23)20-14-9-18-16(19-10-14)12-6-4-3-5-7-12/h3-7,9-10,13H,2,8,11H2,1H3,(H,20,23)/t13-/m0/s1
InChIKeyFPZBGNVMXNGHOK-ZDUSSCGKSA-N
MW310.36 g/mol
LogP1.95
Rot. Bonds4

About (3S)-1-ethyl-5-oxo-N-(2-phenylpyrimidin-5-yl)pyrrolidine-3-carboxamide

(3S)-1-ethyl-5-oxo-N-(2-phenylpyrimidin-5-yl)pyrrolidine-3-carboxamide (PubChem CID 94092655) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is (3S)-1-ethyl-5-oxo-N-(2-phenylpyrimidin-5-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-ethyl-5-oxo-N-(2-phenylpyrimidin-5-yl)pyrrolidine-3-carboxamide
PubChem CID94092655
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name(3S)-1-ethyl-5-oxo-N-(2-phenylpyrimidin-5-yl)pyrrolidine-3-carboxamide
SMILESCCN1C[C@@H](C(=O)Nc2cnc(-c3ccccc3)nc2)CC1=O
InChIInChI=1S/C17H18N4O2/c1-2-21-11-13(8-15(21)22)17(23)20-14-9-18-16(19-10-14)12-6-4-3-5-7-12/h3-7,9-10,13H,2,8,11H2,1H3,(H,20,23)/t13-/m0/s1
InChIKeyFPZBGNVMXNGHOK-ZDUSSCGKSA-N
XLogP1.95
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-5-oxo-1-phenyl-N-(2-phenylpyrimidin-5-yl)pyrrolidine-3-carboxamide
CID 51937891
5-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 63153999
2-[4-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]acetic acid
CID 43358506
(3R)-1-ethyl-5-oxo-N-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 97123545
(3R)-N-[4-(2-chlorophenoxy)phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 52578120
(3S)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 38418637
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 120566669
(3S)-1-ethyl-N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-5-oxopyrrolidine-3-carboxamide
CID 95298412
N-(6-methoxy-3-pyridinyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51143040
N-(4-acetamidophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 42997175
(3R)-1-ethyl-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 94183042
(3R)-1-(2-methoxyethyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 94045996

Frequently Asked Questions

What is the IUPAC name of (3S)-1-ethyl-5-oxo-N-(2-phenylpyrimidin-5-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-ethyl-5-oxo-N-(2-phenylpyrimidin-5-yl)pyrrolidine-3-carboxamide (CID 94092655) is (3S)-1-ethyl-5-oxo-N-(2-phenylpyrimidin-5-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-ethyl-5-oxo-N-(2-phenylpyrimidin-5-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-ethyl-5-oxo-N-(2-phenylpyrimidin-5-yl)pyrrolidine-3-carboxamide is CCN1C[C@@H](C(=O)Nc2cnc(-c3ccccc3)nc2)CC1=O.
What is the InChIKey of (3S)-1-ethyl-5-oxo-N-(2-phenylpyrimidin-5-yl)pyrrolidine-3-carboxamide?
The InChIKey is FPZBGNVMXNGHOK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-2-21-11-13(8-15(21)22)17(23)20-14-9-18-16(19-10-14)12-6-4-3-5-7-12/h3-7,9-10,13H,2,8,11H2,1H3,(H,20,23)/t13-/m0/s1.
What are the key properties of (3S)-1-ethyl-5-oxo-N-(2-phenylpyrimidin-5-yl)pyrrolidine-3-carboxamide?
(3S)-1-ethyl-5-oxo-N-(2-phenylpyrimidin-5-yl)pyrrolidine-3-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-ethyl-5-oxo-N-(2-phenylpyrimidin-5-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 94092655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).