2-oxo-N-(5-piperazin-1-yl-2-pyridinyl)-1H-pyridine-4-carboxamide;hydrochloride

C15H18ClN5O2 — CID 119494214

IUPAC2-oxo-N-(5-piperazin-1-yl-2-pyridinyl)-1H-pyridine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(N2CCNCC2)cn1)c1cc[nH]c(=O)c1
InChIInChI=1S/C15H17N5O2.ClH/c21-14-9-11(3-4-17-14)15(22)19-13-2-1-12(10-18-13)20-7-5-16-6-8-20;/h1-4,9-10,16H,5-8H2,(H,17,21)(H,18,19,22);1H
InChIKeyZPRZMVTVNARHKF-UHFFFAOYSA-N
MW335.80 g/mol
LogP0.85
Rot. Bonds3

About 2-oxo-N-(5-piperazin-1-yl-2-pyridinyl)-1H-pyridine-4-carboxamide;hydrochloride

2-oxo-N-(5-piperazin-1-yl-2-pyridinyl)-1H-pyridine-4-carboxamide;hydrochloride (PubChem CID 119494214) has the molecular formula C15H18ClN5O2 and a molecular weight of 335.80 g/mol. Its IUPAC name is 2-oxo-N-(5-piperazin-1-yl-2-pyridinyl)-1H-pyridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-oxo-N-(5-piperazin-1-yl-2-pyridinyl)-1H-pyridine-4-carboxamide;hydrochloride
PubChem CID119494214
Molecular FormulaC15H18ClN5O2
Molecular Weight335.80 g/mol
Exact Mass335.11
IUPAC Name2-oxo-N-(5-piperazin-1-yl-2-pyridinyl)-1H-pyridine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(N2CCNCC2)cn1)c1cc[nH]c(=O)c1
InChIInChI=1S/C15H17N5O2.ClH/c21-14-9-11(3-4-17-14)15(22)19-13-2-1-12(10-18-13)20-7-5-16-6-8-20;/h1-4,9-10,16H,5-8H2,(H,17,21)(H,18,19,22);1H
InChIKeyZPRZMVTVNARHKF-UHFFFAOYSA-N
XLogP0.85
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dichloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494091
3-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494063
N-(5-piperazin-1-yl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 119494454
N-(5-piperazin-1-yl-2-pyridinyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119494136
6-methyl-N-(5-piperazin-1-yl-2-pyridinyl)pyridine-3-carboxamide;dihydrochloride
CID 119494408
N-(5-piperazin-1-yl-2-pyridinyl)-4-propan-2-ylbenzamide;hydrochloride
CID 119494632
3-methoxy-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494679
2-chloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride
CID 119494622
2,4-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)-1,3-oxazole-5-carboxamide;hydrochloride
CID 119494520
1-methyl-N-(5-piperazin-1-yl-2-pyridinyl)cyclopropane-1-carboxamide;hydrochloride
CID 119494178
N-(5-piperazin-1-yl-2-pyridinyl)-1,2-oxazole-3-carboxamide
CID 119494181
2-methylsulfanyl-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride
CID 119494252

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(5-piperazin-1-yl-2-pyridinyl)-1H-pyridine-4-carboxamide;hydrochloride?
The IUPAC name of 2-oxo-N-(5-piperazin-1-yl-2-pyridinyl)-1H-pyridine-4-carboxamide;hydrochloride (CID 119494214) is 2-oxo-N-(5-piperazin-1-yl-2-pyridinyl)-1H-pyridine-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-oxo-N-(5-piperazin-1-yl-2-pyridinyl)-1H-pyridine-4-carboxamide;hydrochloride?
The canonical SMILES for 2-oxo-N-(5-piperazin-1-yl-2-pyridinyl)-1H-pyridine-4-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(N2CCNCC2)cn1)c1cc[nH]c(=O)c1.
What is the InChIKey of 2-oxo-N-(5-piperazin-1-yl-2-pyridinyl)-1H-pyridine-4-carboxamide;hydrochloride?
The InChIKey is ZPRZMVTVNARHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2.ClH/c21-14-9-11(3-4-17-14)15(22)19-13-2-1-12(10-18-13)20-7-5-16-6-8-20;/h1-4,9-10,16H,5-8H2,(H,17,21)(H,18,19,22);1H.
What are the key properties of 2-oxo-N-(5-piperazin-1-yl-2-pyridinyl)-1H-pyridine-4-carboxamide;hydrochloride?
2-oxo-N-(5-piperazin-1-yl-2-pyridinyl)-1H-pyridine-4-carboxamide;hydrochloride has a molecular weight of 335.80 g/mol, XLogP of 0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(5-piperazin-1-yl-2-pyridinyl)-1H-pyridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119494214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).