(2S)-1-(1-ethyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)pyrrolidine-2-carboxamide

C16H19N5O2 — CID 70313400

IUPAC(2S)-1-(1-ethyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)pyrrolidine-2-carboxamide
SMILESCCn1c(N2CCC[C@H]2C(N)=O)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C16H19N5O2/c1-2-20-14(22)10-12(11-5-7-18-8-6-11)19-16(20)21-9-3-4-13(21)15(17)23/h5-8,10,13H,2-4,9H2,1H3,(H2,17,23)/t13-/m0/s1
InChIKeyZDWCBLWAAWQGNS-ZDUSSCGKSA-N
MW313.36 g/mol
LogP0.78
Rot. Bonds4

About (2S)-1-(1-ethyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)pyrrolidine-2-carboxamide

(2S)-1-(1-ethyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)pyrrolidine-2-carboxamide (PubChem CID 70313400) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is (2S)-1-(1-ethyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(1-ethyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)pyrrolidine-2-carboxamide
PubChem CID70313400
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name(2S)-1-(1-ethyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)pyrrolidine-2-carboxamide
SMILESCCn1c(N2CCC[C@H]2C(N)=O)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C16H19N5O2/c1-2-20-14(22)10-12(11-5-7-18-8-6-11)19-16(20)21-9-3-4-13(21)15(17)23/h5-8,10,13H,2-4,9H2,1H3,(H2,17,23)/t13-/m0/s1
InChIKeyZDWCBLWAAWQGNS-ZDUSSCGKSA-N
XLogP0.78
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one
CID 142238628
(2R)-1-(5-chloro-6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 137291643
1-(2-ethyl-6-pyridin-4-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 56767481
(2S)-2-[[ethyl-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]methyl]pyrrolidine-1-carboxylic acid
CID 67427006
methane;(2R)-1-(6-phenyl-2-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 159135141
1-(2-carbamothioyl-4-pyridinyl)pyrrolidine-2-carboxamide
CID 55156459
1-ethyl-6-oxo-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,3'-pyrrolidine]-1'-carboxylic acid
CID 91289713
1-ethyl-3-pyridin-4-ylpyrazole-5-carboxylic acid
CID 82376222
1-[6-methyl-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide
CID 80765391
1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide
CID 55124177
2-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylic acid
CID 67479701
1-(5-phenyl-2H-triazolo[4,5-d]pyrimidin-7-yl)pyrrolidine-2-carboxamide
CID 72510858

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1-ethyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(1-ethyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)pyrrolidine-2-carboxamide (CID 70313400) is (2S)-1-(1-ethyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(1-ethyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(1-ethyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)pyrrolidine-2-carboxamide is CCn1c(N2CCC[C@H]2C(N)=O)nc(-c2ccncc2)cc1=O.
What is the InChIKey of (2S)-1-(1-ethyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is ZDWCBLWAAWQGNS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-2-20-14(22)10-12(11-5-7-18-8-6-11)19-16(20)21-9-3-4-13(21)15(17)23/h5-8,10,13H,2-4,9H2,1H3,(H2,17,23)/t13-/m0/s1.
What are the key properties of (2S)-1-(1-ethyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)pyrrolidine-2-carboxamide?
(2S)-1-(1-ethyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1-ethyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 70313400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).