4-chloro-N-[2-[(4-methylpiperazin-1-yl)amino]-2-oxoethyl]pyridine-2-carboxamide

C13H18ClN5O2 — CID 9205834

IUPAC4-chloro-N-[2-[(4-methylpiperazin-1-yl)amino]-2-oxoethyl]pyridine-2-carboxamide
SMILESCN1CCN(NC(=O)CNC(=O)c2cc(Cl)ccn2)CC1
InChIInChI=1S/C13H18ClN5O2/c1-18-4-6-19(7-5-18)17-12(20)9-16-13(21)11-8-10(14)2-3-15-11/h2-3,8H,4-7,9H2,1H3,(H,16,21)(H,17,20)
InChIKeyHGSALXPVPPLSCR-UHFFFAOYSA-N
MW311.77 g/mol
LogP-0.26
Rot. Bonds4

About 4-chloro-N-[2-[(4-methylpiperazin-1-yl)amino]-2-oxoethyl]pyridine-2-carboxamide

4-chloro-N-[2-[(4-methylpiperazin-1-yl)amino]-2-oxoethyl]pyridine-2-carboxamide (PubChem CID 9205834) has the molecular formula C13H18ClN5O2 and a molecular weight of 311.77 g/mol. Its IUPAC name is 4-chloro-N-[2-[(4-methylpiperazin-1-yl)amino]-2-oxoethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-[(4-methylpiperazin-1-yl)amino]-2-oxoethyl]pyridine-2-carboxamide
PubChem CID9205834
Molecular FormulaC13H18ClN5O2
Molecular Weight311.77 g/mol
Exact Mass311.11
IUPAC Name4-chloro-N-[2-[(4-methylpiperazin-1-yl)amino]-2-oxoethyl]pyridine-2-carboxamide
SMILESCN1CCN(NC(=O)CNC(=O)c2cc(Cl)ccn2)CC1
InChIInChI=1S/C13H18ClN5O2/c1-18-4-6-19(7-5-18)17-12(20)9-16-13(21)11-8-10(14)2-3-15-11/h2-3,8H,4-7,9H2,1H3,(H,16,21)(H,17,20)
InChIKeyHGSALXPVPPLSCR-UHFFFAOYSA-N
XLogP-0.26
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 113364713
4-chloro-N-[2-(cyclopropylmethylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 24667080
4-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]pyridine-2-carboxamide
CID 9068732
4-chloro-N-[2-[[1-(dimethylamino)cycloheptyl]methylamino]-2-oxoethyl]pyridine-2-carboxamide
CID 24647121
4-amino-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 83024475
4-chloro-N-[2-(3-methylanilino)-2-oxoethyl]pyridine-2-carboxamide
CID 9039107
4-chloro-N-[2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide
CID 9366395
4-chloro-N-[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]pyridine-2-carboxamide
CID 9396568
4-chloro-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide
CID 9268867
4-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 83025254
N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-4-chloropyridine-2-carboxamide
CID 9327506
4-chloro-N-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]pyridine-2-carboxamide
CID 9427363

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[(4-methylpiperazin-1-yl)amino]-2-oxoethyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[2-[(4-methylpiperazin-1-yl)amino]-2-oxoethyl]pyridine-2-carboxamide (CID 9205834) is 4-chloro-N-[2-[(4-methylpiperazin-1-yl)amino]-2-oxoethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-[(4-methylpiperazin-1-yl)amino]-2-oxoethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[2-[(4-methylpiperazin-1-yl)amino]-2-oxoethyl]pyridine-2-carboxamide is CN1CCN(NC(=O)CNC(=O)c2cc(Cl)ccn2)CC1.
What is the InChIKey of 4-chloro-N-[2-[(4-methylpiperazin-1-yl)amino]-2-oxoethyl]pyridine-2-carboxamide?
The InChIKey is HGSALXPVPPLSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5O2/c1-18-4-6-19(7-5-18)17-12(20)9-16-13(21)11-8-10(14)2-3-15-11/h2-3,8H,4-7,9H2,1H3,(H,16,21)(H,17,20).
What are the key properties of 4-chloro-N-[2-[(4-methylpiperazin-1-yl)amino]-2-oxoethyl]pyridine-2-carboxamide?
4-chloro-N-[2-[(4-methylpiperazin-1-yl)amino]-2-oxoethyl]pyridine-2-carboxamide has a molecular weight of 311.77 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[(4-methylpiperazin-1-yl)amino]-2-oxoethyl]pyridine-2-carboxamide is sourced from PubChem (CID 9205834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).