4-[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one

C18H21N5O2 — CID 126889980

IUPAC4-[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1cc[nH]c(=O)c1)N1CCC(N(c2ccncn2)C2CC2)CC1
InChIInChI=1S/C18H21N5O2/c24-17-11-13(3-8-20-17)18(25)22-9-5-15(6-10-22)23(14-1-2-14)16-4-7-19-12-21-16/h3-4,7-8,11-12,14-15H,1-2,5-6,9-10H2,(H,20,24)
InChIKeyTXIRHLSLLPXGBT-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.44
Rot. Bonds4

About 4-[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one

4-[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 126889980) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID126889980
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name4-[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1cc[nH]c(=O)c1)N1CCC(N(c2ccncn2)C2CC2)CC1
InChIInChI=1S/C18H21N5O2/c24-17-11-13(3-8-20-17)18(25)22-9-5-15(6-10-22)23(14-1-2-14)16-4-7-19-12-21-16/h3-4,7-8,11-12,14-15H,1-2,5-6,9-10H2,(H,20,24)
InChIKeyTXIRHLSLLPXGBT-UHFFFAOYSA-N
XLogP1.44
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-4-[cyclopropyl(pyrimidin-4-yl)amino]piperidine-1-carboxamide
CID 126889961
1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 113264935
[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 126889978
4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 103763407
[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone
CID 126889953
methyl 1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylate
CID 103762652
[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]-[3-(difluoromethyl)-1-methylpyrazol-4-yl]methanone
CID 171328772
4-[4-(ethylamino)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 114039612
N-[1-(2-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 103764046
4-(4-ethylazepane-1-carbonyl)-1H-pyridin-2-one
CID 103765578
4-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 103766238
2,1,3-benzothiadiazol-5-yl-[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
CID 126891389

Frequently Asked Questions

What is the IUPAC name of 4-[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 4-[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one (CID 126889980) is 4-[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one is O=C(c1cc[nH]c(=O)c1)N1CCC(N(c2ccncn2)C2CC2)CC1.
What is the InChIKey of 4-[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is TXIRHLSLLPXGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c24-17-11-13(3-8-20-17)18(25)22-9-5-15(6-10-22)23(14-1-2-14)16-4-7-19-12-21-16/h3-4,7-8,11-12,14-15H,1-2,5-6,9-10H2,(H,20,24).
What are the key properties of 4-[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one?
4-[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 339.40 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 126889980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).