4-chloro-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyridine-2-carboxamide

C17H18ClN5O2 — CID 9255619

IUPAC4-chloro-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCC(=O)N1CCN(c2ccncc2)CC1)c1cc(Cl)ccn1
InChIInChI=1S/C17H18ClN5O2/c18-13-1-6-20-15(11-13)17(25)21-12-16(24)23-9-7-22(8-10-23)14-2-4-19-5-3-14/h1-6,11H,7-10,12H2,(H,21,25)
InChIKeyYNYJCYCHISIHIK-UHFFFAOYSA-N
MW359.82 g/mol
LogP1.21
Rot. Bonds4

About 4-chloro-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyridine-2-carboxamide

4-chloro-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyridine-2-carboxamide (PubChem CID 9255619) has the molecular formula C17H18ClN5O2 and a molecular weight of 359.82 g/mol. Its IUPAC name is 4-chloro-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyridine-2-carboxamide
PubChem CID9255619
Molecular FormulaC17H18ClN5O2
Molecular Weight359.82 g/mol
Exact Mass359.11
IUPAC Name4-chloro-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCC(=O)N1CCN(c2ccncc2)CC1)c1cc(Cl)ccn1
InChIInChI=1S/C17H18ClN5O2/c18-13-1-6-20-15(11-13)17(25)21-12-16(24)23-9-7-22(8-10-23)14-2-4-19-5-3-14/h1-6,11H,7-10,12H2,(H,21,25)
InChIKeyYNYJCYCHISIHIK-UHFFFAOYSA-N
XLogP1.21
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.82
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]pyridine-2-carboxamide
CID 9255618
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CID 9183391
3,4-dimethyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzamide
CID 9254212
4-chloro-N-[2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]pyridine-2-carboxamide
CID 24620157
4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 43088257
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 56503276
4-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)pyridine-2-carboxamide
CID 109209220
2-(aminomethyl)-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119874778
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylpropanamide
CID 51108233
4-chloro-N-[2-[(4-methylpiperazin-1-yl)amino]-2-oxoethyl]pyridine-2-carboxamide
CID 9205834
4-chloro-N-(2,2-dimethylbutyl)pyridine-2-carboxamide
CID 103461085
1-[2-(pyridine-2-carbonylamino)acetyl]piperidine-4-carboxylic acid
CID 119349505

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyridine-2-carboxamide (CID 9255619) is 4-chloro-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyridine-2-carboxamide is O=C(NCC(=O)N1CCN(c2ccncc2)CC1)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is YNYJCYCHISIHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O2/c18-13-1-6-20-15(11-13)17(25)21-12-16(24)23-9-7-22(8-10-23)14-2-4-19-5-3-14/h1-6,11H,7-10,12H2,(H,21,25).
What are the key properties of 4-chloro-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyridine-2-carboxamide?
4-chloro-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 359.82 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 9255619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).