N-(2-oxopiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

C14H19N5O2 — CID 166186141

IUPACN-(2-oxopiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESO=C(NN1CCCCC1=O)c1ccnc(N2CCCC2)n1
InChIInChI=1S/C14H19N5O2/c20-12-5-1-2-10-19(12)17-13(21)11-6-7-15-14(16-11)18-8-3-4-9-18/h6-7H,1-5,8-10H2,(H,17,21)
InChIKeyPUIASEKITKBUAU-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.73
Rot. Bonds3

About N-(2-oxopiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

N-(2-oxopiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 166186141) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(2-oxopiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-oxopiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID166186141
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC NameN-(2-oxopiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESO=C(NN1CCCCC1=O)c1ccnc(N2CCCC2)n1
InChIInChI=1S/C14H19N5O2/c20-12-5-1-2-10-19(12)17-13(21)11-6-7-15-14(16-11)18-8-3-4-9-18/h6-7H,1-5,8-10H2,(H,17,21)
InChIKeyPUIASEKITKBUAU-UHFFFAOYSA-N
XLogP0.73
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297273
2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 140686303
2-(azepan-1-yl)-N-butan-2-ylpyrimidine-4-carboxamide
CID 109297356
2-(azepan-1-yl)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109313282
(2S)-2-[(2-pyrrolidin-1-ylpyrimidine-4-carbonyl)amino]propanoic acid
CID 119942730
N-(4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297550
2-(azepan-1-yl)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109313208
4-[[(2-pyrrolidin-1-ylpyrimidine-4-carbonyl)amino]methyl]benzoic acid
CID 119353448
2-(azepan-1-yl)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109313205
N'-(furan-3-carbonyl)-2-pyrrolidin-1-ylpyrimidine-4-carbohydrazide
CID 166208795
2-(azepan-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305661
azepan-1-yl-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109297545

Frequently Asked Questions

What is the IUPAC name of N-(2-oxopiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-oxopiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 166186141) is N-(2-oxopiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-oxopiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-oxopiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is O=C(NN1CCCCC1=O)c1ccnc(N2CCCC2)n1.
What is the InChIKey of N-(2-oxopiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is PUIASEKITKBUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c20-12-5-1-2-10-19(12)17-13(21)11-6-7-15-14(16-11)18-8-3-4-9-18/h6-7H,1-5,8-10H2,(H,17,21).
What are the key properties of N-(2-oxopiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
N-(2-oxopiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxopiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 166186141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).