N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]pyrimidine-4-carboxamide

C18H17ClN6O — CID 175650980

IUPACN-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]pyrimidine-4-carboxamide
SMILESO=C(NC1CCCN(c2cnc3cc(Cl)ccc3n2)C1)c1ccncn1
InChIInChI=1S/C18H17ClN6O/c19-12-3-4-14-16(8-12)21-9-17(24-14)25-7-1-2-13(10-25)23-18(26)15-5-6-20-11-22-15/h3-6,8-9,11,13H,1-2,7,10H2,(H,23,26)
InChIKeyRXDCPYVVPHXELS-UHFFFAOYSA-N
MW368.83 g/mol
LogP2.47
Rot. Bonds3

About N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]pyrimidine-4-carboxamide

N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]pyrimidine-4-carboxamide (PubChem CID 175650980) has the molecular formula C18H17ClN6O and a molecular weight of 368.83 g/mol. Its IUPAC name is N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]pyrimidine-4-carboxamide
PubChem CID175650980
Molecular FormulaC18H17ClN6O
Molecular Weight368.83 g/mol
Exact Mass368.12
IUPAC NameN-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]pyrimidine-4-carboxamide
SMILESO=C(NC1CCCN(c2cnc3cc(Cl)ccc3n2)C1)c1ccncn1
InChIInChI=1S/C18H17ClN6O/c19-12-3-4-14-16(8-12)21-9-17(24-14)25-7-1-2-13(10-25)23-18(26)15-5-6-20-11-22-15/h3-6,8-9,11,13H,1-2,7,10H2,(H,23,26)
InChIKeyRXDCPYVVPHXELS-UHFFFAOYSA-N
XLogP2.47
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.83
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]pyridine-3-carboxamide
CID 175651012
N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172903697
N-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]pyrimidine-4-carboxamide
CID 175649015
N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide
CID 175650624
N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrimidine-4-carboxamide
CID 175651152
2-N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 171999798
6-chloro-2-piperidin-1-ylquinoxaline
CID 171705162
N-(1-quinoxalin-2-ylpiperidin-3-yl)cyclopropanecarboxamide
CID 155975943
N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide
CID 175650599
1-(6-chloroquinoxalin-2-yl)-N-methylazetidine-3-carboxamide
CID 175649549
(3S)-N-(3-chlorophenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 92726481
(3S)-1-(6-aminoquinoxalin-2-yl)piperidine-3-carboxylic acid
CID 97168760

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]pyrimidine-4-carboxamide?
The IUPAC name of N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]pyrimidine-4-carboxamide (CID 175650980) is N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]pyrimidine-4-carboxamide is O=C(NC1CCCN(c2cnc3cc(Cl)ccc3n2)C1)c1ccncn1.
What is the InChIKey of N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]pyrimidine-4-carboxamide?
The InChIKey is RXDCPYVVPHXELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN6O/c19-12-3-4-14-16(8-12)21-9-17(24-14)25-7-1-2-13(10-25)23-18(26)15-5-6-20-11-22-15/h3-6,8-9,11,13H,1-2,7,10H2,(H,23,26).
What are the key properties of N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]pyrimidine-4-carboxamide?
N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]pyrimidine-4-carboxamide has a molecular weight of 368.83 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 175650980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).