2-chloro-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide

C14H15ClN6O — CID 143750716

IUPAC2-chloro-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1cnccc1N1CCNCC1)c1ccnc(Cl)n1
InChIInChI=1S/C14H15ClN6O/c15-14-18-4-1-10(20-14)13(22)19-11-9-17-3-2-12(11)21-7-5-16-6-8-21/h1-4,9,16H,5-8H2,(H,19,22)
InChIKeyXFGKFRQDRHHFNC-UHFFFAOYSA-N
MW318.77 g/mol
LogP1.19
Rot. Bonds3

About 2-chloro-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide

2-chloro-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide (PubChem CID 143750716) has the molecular formula C14H15ClN6O and a molecular weight of 318.77 g/mol. Its IUPAC name is 2-chloro-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
PubChem CID143750716
Molecular FormulaC14H15ClN6O
Molecular Weight318.77 g/mol
Exact Mass318.10
IUPAC Name2-chloro-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1cnccc1N1CCNCC1)c1ccnc(Cl)n1
InChIInChI=1S/C14H15ClN6O/c15-14-18-4-1-10(20-14)13(22)19-11-9-17-3-2-12(11)21-7-5-16-6-8-21/h1-4,9,16H,5-8H2,(H,19,22)
InChIKeyXFGKFRQDRHHFNC-UHFFFAOYSA-N
XLogP1.19
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.77
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-piperazin-1-yl-3-pyridinyl)-6-pyridin-4-ylpyridine-2-carboxamide
CID 25176181
2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
CID 59569340
2-(4-methylsulfonylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
CID 59569287
2-(6-methoxy-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
CID 59569279
2-[(2-fluorophenyl)carbamoylamino]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
CID 59569228
2-(5-fluoro-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
CID 59569248
N-(4-piperazin-1-yl-3-pyridinyl)-6-thiophen-2-ylpyridine-2-carboxamide
CID 25176508
2-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
CID 59569478
2-[5-methoxy-6-(2-methoxyethoxy)-1,3-dihydroisoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
CID 59569232
2-(3-oxopiperazin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 24954454
6-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
CID 25174250
2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
CID 59569538

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-chloro-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide (CID 143750716) is 2-chloro-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide is O=C(Nc1cnccc1N1CCNCC1)c1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide?
The InChIKey is XFGKFRQDRHHFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN6O/c15-14-18-4-1-10(20-14)13(22)19-11-9-17-3-2-12(11)21-7-5-16-6-8-21/h1-4,9,16H,5-8H2,(H,19,22).
What are the key properties of 2-chloro-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide?
2-chloro-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide has a molecular weight of 318.77 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 143750716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).