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

C17H19ClN5O2+ — CID 9255618

IUPAC4-chloro-N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCC(=O)N1CCN(c2cc[nH+]cc2)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)/p+1
InChIKeyYNYJCYCHISIHIK-UHFFFAOYSA-O
MW360.83 g/mol
LogP0.63
Rot. Bonds4

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

4-chloro-N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]pyridine-2-carboxamide (PubChem CID 9255618) has the molecular formula C17H19ClN5O2+ and a molecular weight of 360.83 g/mol. Its IUPAC name is 4-chloro-N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]pyridine-2-carboxamide
PubChem CID9255618
Molecular FormulaC17H19ClN5O2+
Molecular Weight360.83 g/mol
Exact Mass360.12
IUPAC Name4-chloro-N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCC(=O)N1CCN(c2cc[nH+]cc2)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)/p+1
InChIKeyYNYJCYCHISIHIK-UHFFFAOYSA-O
XLogP0.63
TPSA79.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.83
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-chloro-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyridine-2-carboxamide
CID 9255619
4-chloro-N-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]pyridine-2-carboxamide
CID 9183391
N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 9254175
4-chloro-N-[2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]pyridine-2-carboxamide
CID 24620157
3-chloro-N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 9253941
2-(2,4-dichlorophenoxy)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone
CID 9228398
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
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 56503276
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-1-ium-4-ylpiperazin-1-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]pyridine-2-carboxamide (CID 9255618) is 4-chloro-N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]pyridine-2-carboxamide is O=C(NCC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is YNYJCYCHISIHIK-UHFFFAOYSA-O. 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)/p+1.
What are the key properties of 4-chloro-N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]pyridine-2-carboxamide?
4-chloro-N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 360.83 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 9255618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).