2-[4-[3-(6-oxo-1H-pyridin-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide

C19H22N6O4 — CID 167528766

IUPAC2-[4-[3-(6-oxo-1H-pyridin-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
SMILESNC(=O)c1ccnc(N2CCC(C(=O)N3OCCC3c3ccc(=O)[nH]c3)CC2)n1
InChIInChI=1S/C19H22N6O4/c20-17(27)14-3-7-21-19(23-14)24-8-4-12(5-9-24)18(28)25-15(6-10-29-25)13-1-2-16(26)22-11-13/h1-3,7,11-12,15H,4-6,8-10H2,(H2,20,27)(H,22,26)
InChIKeyKMNZUKAPCCDVPR-UHFFFAOYSA-N
MW398.42 g/mol
LogP0.39
Rot. Bonds4

About 2-[4-[3-(6-oxo-1H-pyridin-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide

2-[4-[3-(6-oxo-1H-pyridin-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide (PubChem CID 167528766) has the molecular formula C19H22N6O4 and a molecular weight of 398.42 g/mol. Its IUPAC name is 2-[4-[3-(6-oxo-1H-pyridin-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[4-[3-(6-oxo-1H-pyridin-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
PubChem CID167528766
Molecular FormulaC19H22N6O4
Molecular Weight398.42 g/mol
Exact Mass398.17
IUPAC Name2-[4-[3-(6-oxo-1H-pyridin-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
SMILESNC(=O)c1ccnc(N2CCC(C(=O)N3OCCC3c3ccc(=O)[nH]c3)CC2)n1
InChIInChI=1S/C19H22N6O4/c20-17(27)14-3-7-21-19(23-14)24-8-4-12(5-9-24)18(28)25-15(6-10-29-25)13-1-2-16(26)22-11-13/h1-3,7,11-12,15H,4-6,8-10H2,(H2,20,27)(H,22,26)
InChIKeyKMNZUKAPCCDVPR-UHFFFAOYSA-N
XLogP0.39
TPSA134.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[3-(6-oxo-1H-pyridin-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide with MolForge

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Related Compounds

N-{4-[(Dimethylamino)methyl]-1-(pyrimidin-2-YL)pyrrolidin-3-YL}pyrimidine-4-carboxamide
CID 91911100
N-{2-[(Oxan-4-YL)[1-(propan-2-YL)piperidin-4-YL]amino]ethyl}pyrimidine-4-carboxamide
CID 132440217
N-[[6-amino-5-(fluoromethyl)-3-methylcyclohexa-1,3-dien-1-yl]methyl]-2-(cyclopropanecarbonylamino)pyrimidine-4-carboxamide
CID 124095528
6-[4-[(3S)-3-(5-fluoro-2H-pyrimidin-1-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
CID 154697979
6-[4-[(3S)-3-[(3E,5E)-4,6-difluorohepta-1,3,5-trien-2-yl]-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
CID 169930291
2-[2,3,5-trifluoro-4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
CID 175447812
8-(Pyrimidine-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-1-carboxamide
CID 68193625
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 69657481
N-[[1-[(2R)-2-cyclohexa-2,4-dien-1-ylcyclopropanecarbonyl]piperidin-4-yl]methyl]pyrimidine-4-carboxamide
CID 71171391
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyrimidin-5-ylpyrimidine-4-carboxamide
CID 118324504
2-(4-Methyl-4-penta-1,3-dien-2-ylpiperidin-1-yl)-6-[(2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carboxamide
CID 123139236
methyl (2S,4R)-1-[2-[[(2S,3E,5Z)-3-ethenylhepta-3,5-dien-2-yl]amino]pyrimidine-4-carbonyl]-4-methoxypyrrolidine-2-carboxylate
CID 134560886

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(6-oxo-1H-pyridin-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide?
The IUPAC name of 2-[4-[3-(6-oxo-1H-pyridin-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide (CID 167528766) is 2-[4-[3-(6-oxo-1H-pyridin-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[4-[3-(6-oxo-1H-pyridin-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-[4-[3-(6-oxo-1H-pyridin-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide is NC(=O)c1ccnc(N2CCC(C(=O)N3OCCC3c3ccc(=O)[nH]c3)CC2)n1.
What is the InChIKey of 2-[4-[3-(6-oxo-1H-pyridin-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide?
The InChIKey is KMNZUKAPCCDVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O4/c20-17(27)14-3-7-21-19(23-14)24-8-4-12(5-9-24)18(28)25-15(6-10-29-25)13-1-2-16(26)22-11-13/h1-3,7,11-12,15H,4-6,8-10H2,(H2,20,27)(H,22,26).
What are the key properties of 2-[4-[3-(6-oxo-1H-pyridin-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide?
2-[4-[3-(6-oxo-1H-pyridin-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 398.42 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(6-oxo-1H-pyridin-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 167528766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).