N-(4-chloro-3-pyridin-2-ylphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyridine-3-carboxamide

C24H26ClN5O — CID 52945737

IUPACN-(4-chloro-3-pyridin-2-ylphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyridine-3-carboxamide
SMILESCCN1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(C)n2)CC1
InChIInChI=1S/C24H26ClN5O/c1-3-29-12-14-30(15-13-29)23-10-8-19(17(2)27-23)24(31)28-18-7-9-21(25)20(16-18)22-6-4-5-11-26-22/h4-11,16H,3,12-15H2,1-2H3,(H,28,31)
InChIKeySGQXNCAJHNLGJT-UHFFFAOYSA-N
MW435.96 g/mol
LogP4.50
Rot. Bonds5

About N-(4-chloro-3-pyridin-2-ylphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyridine-3-carboxamide

N-(4-chloro-3-pyridin-2-ylphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyridine-3-carboxamide (PubChem CID 52945737) has the molecular formula C24H26ClN5O and a molecular weight of 435.96 g/mol. Its IUPAC name is N-(4-chloro-3-pyridin-2-ylphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridin-2-ylphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyridine-3-carboxamide
PubChem CID52945737
Molecular FormulaC24H26ClN5O
Molecular Weight435.96 g/mol
Exact Mass435.18
IUPAC NameN-(4-chloro-3-pyridin-2-ylphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyridine-3-carboxamide
SMILESCCN1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(C)n2)CC1
InChIInChI=1S/C24H26ClN5O/c1-3-29-12-14-30(15-13-29)23-10-8-19(17(2)27-23)24(31)28-18-7-9-21(25)20(16-18)22-6-4-5-11-26-22/h4-11,16H,3,12-15H2,1-2H3,(H,28,31)
InChIKeySGQXNCAJHNLGJT-UHFFFAOYSA-N
XLogP4.50
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.96
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyridine-3-carboxamide?
The IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyridine-3-carboxamide (CID 52945737) is N-(4-chloro-3-pyridin-2-ylphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-3-pyridin-2-ylphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-(4-chloro-3-pyridin-2-ylphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyridine-3-carboxamide is CCN1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(C)n2)CC1.
What is the InChIKey of N-(4-chloro-3-pyridin-2-ylphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyridine-3-carboxamide?
The InChIKey is SGQXNCAJHNLGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O/c1-3-29-12-14-30(15-13-29)23-10-8-19(17(2)27-23)24(31)28-18-7-9-21(25)20(16-18)22-6-4-5-11-26-22/h4-11,16H,3,12-15H2,1-2H3,(H,28,31).
What are the key properties of N-(4-chloro-3-pyridin-2-ylphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyridine-3-carboxamide?
N-(4-chloro-3-pyridin-2-ylphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyridine-3-carboxamide has a molecular weight of 435.96 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridin-2-ylphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 52945737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).