1-(5-chloro-6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)piperidine-4-carboxamide

C15H16ClN5O2 — CID 137291501

IUPAC1-(5-chloro-6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc(-c3ccncc3)[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C15H16ClN5O2/c16-11-14(21-7-3-9(4-8-21)12(17)22)19-13(20-15(11)23)10-1-5-18-6-2-10/h1-2,5-6,9H,3-4,7-8H2,(H2,17,22)(H,19,20,23)
InChIKeyTWWWSOGCTMYORD-UHFFFAOYSA-N
MW333.78 g/mol
LogP1.19
Rot. Bonds3

About 1-(5-chloro-6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)piperidine-4-carboxamide

1-(5-chloro-6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 137291501) has the molecular formula C15H16ClN5O2 and a molecular weight of 333.78 g/mol. Its IUPAC name is 1-(5-chloro-6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID137291501
Molecular FormulaC15H16ClN5O2
Molecular Weight333.78 g/mol
Exact Mass333.10
IUPAC Name1-(5-chloro-6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc(-c3ccncc3)[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C15H16ClN5O2/c16-11-14(21-7-3-9(4-8-21)12(17)22)19-13(20-15(11)23)10-1-5-18-6-2-10/h1-2,5-6,9H,3-4,7-8H2,(H2,17,22)(H,19,20,23)
InChIKeyTWWWSOGCTMYORD-UHFFFAOYSA-N
XLogP1.19
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[5-chloro-2-(2-fluoro-4-pyridinyl)-6-oxo-1H-pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 137291413
(2R)-1-(5-chloro-6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 137291643
5-chloro-4-[(3S)-3-methyl-4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 137291548
5-chloro-2-(2-fluoro-4-pyridinyl)-4-[4-(3-methylbutanoyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 158558920
1-[5-chloro-2-(2-fluoro-4-pyridinyl)-6-oxo-1H-pyrimidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 146484077
5-chloro-4-[2-(2-methylpropyl)morpholin-4-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 137291499
5-chloro-4-[3-(1,1-difluoroethyl)piperazin-1-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 137291594
(2R)-1-[5-chloro-2-(2-fluoro-4-pyridinyl)-6-oxo-1H-pyrimidin-4-yl]pyrrolidine-2-carboxamide
CID 137291412
5-chloro-4-(1-methylpiperidin-4-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 137289020
4-(1-benzoylpiperidin-4-yl)-5-chloro-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 137291420
5-chloro-2-(2-fluoro-4-pyridinyl)-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 146484081
5-chloro-2-(2-fluoro-4-pyridinyl)-4-(4-morpholin-4-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137291629

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)piperidine-4-carboxamide (CID 137291501) is 1-(5-chloro-6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)piperidine-4-carboxamide is NC(=O)C1CCN(c2nc(-c3ccncc3)[nH]c(=O)c2Cl)CC1.
What is the InChIKey of 1-(5-chloro-6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is TWWWSOGCTMYORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O2/c16-11-14(21-7-3-9(4-8-21)12(17)22)19-13(20-15(11)23)10-1-5-18-6-2-10/h1-2,5-6,9H,3-4,7-8H2,(H2,17,22)(H,19,20,23).
What are the key properties of 1-(5-chloro-6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)piperidine-4-carboxamide?
1-(5-chloro-6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 333.78 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 137291501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).