4-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide

C13H19ClN4O — CID 81225983

IUPAC4-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
SMILESCN1CCN(CCNC(=O)c2cnccc2Cl)CC1
InChIInChI=1S/C13H19ClN4O/c1-17-6-8-18(9-7-17)5-4-16-13(19)11-10-15-3-2-12(11)14/h2-3,10H,4-9H2,1H3,(H,16,19)
InChIKeyMHVDZJQCIPYVPU-UHFFFAOYSA-N
MW282.77 g/mol
LogP0.71
Rot. Bonds4

About 4-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide

4-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide (PubChem CID 81225983) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
PubChem CID81225983
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Name4-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
SMILESCN1CCN(CCNC(=O)c2cnccc2Cl)CC1
InChIInChI=1S/C13H19ClN4O/c1-17-6-8-18(9-7-17)5-4-16-13(19)11-10-15-3-2-12(11)14/h2-3,10H,4-9H2,1H3,(H,16,19)
InChIKeyMHVDZJQCIPYVPU-UHFFFAOYSA-N
XLogP0.71
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 81226066
4-chloro-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 81228576
4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 103872767
2-(methylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 61377470
4-chloro-N-(3-methylsulfonylpropyl)pyridine-3-carboxamide
CID 81226430
2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
CID 107362791
4-(propylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 81240630
methyl 6-[(4-chloropyridine-3-carbonyl)amino]hexanoate
CID 103871236
5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazine-2-carboxamide
CID 107371808
4-chloro-N-pent-3-ynylpyridine-3-carboxamide
CID 104581063
4-chloro-N-(3-methylsulfinylbutyl)pyridine-3-carboxamide
CID 115869248
5-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2-carboxamide
CID 81316862

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide (CID 81225983) is 4-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide is CN1CCN(CCNC(=O)c2cnccc2Cl)CC1.
What is the InChIKey of 4-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is MHVDZJQCIPYVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c1-17-6-8-18(9-7-17)5-4-16-13(19)11-10-15-3-2-12(11)14/h2-3,10H,4-9H2,1H3,(H,16,19).
What are the key properties of 4-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide?
4-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 282.77 g/mol, XLogP of 0.71, 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-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 81225983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).