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

C24H24ClN5O2 — CID 50898448

IUPAC6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)-2-methylpyridine-3-carboxamide
SMILESCC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(C)n2)CC1
InChIInChI=1S/C24H24ClN5O2/c1-16-19(7-9-23(27-16)30-13-11-29(12-14-30)17(2)31)24(32)28-18-6-8-21(25)20(15-18)22-5-3-4-10-26-22/h3-10,15H,11-14H2,1-2H3,(H,28,32)
InChIKeyDLTWIKNGFHAZNQ-UHFFFAOYSA-N
MW449.94 g/mol
LogP4.03
Rot. Bonds4

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

6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)-2-methylpyridine-3-carboxamide (PubChem CID 50898448) has the molecular formula C24H24ClN5O2 and a molecular weight of 449.94 g/mol. Its IUPAC name is 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)-2-methylpyridine-3-carboxamide
PubChem CID50898448
Molecular FormulaC24H24ClN5O2
Molecular Weight449.94 g/mol
Exact Mass449.16
IUPAC Name6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)-2-methylpyridine-3-carboxamide
SMILESCC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(C)n2)CC1
InChIInChI=1S/C24H24ClN5O2/c1-16-19(7-9-23(27-16)30-13-11-29(12-14-30)17(2)31)24(32)28-18-6-8-21(25)20(15-18)22-5-3-4-10-26-22/h3-10,15H,11-14H2,1-2H3,(H,28,32)
InChIKeyDLTWIKNGFHAZNQ-UHFFFAOYSA-N
XLogP4.03
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.94
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 463144
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CID 470666
5-Chloro-2-ethyl-9-methyl-13-(2-phenylethyl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470667
5-Chloro-2-ethyl-9-methyl-13-[(phenylamino)methyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470669
5-Chloro-2-ethyl-9-methyl-13-{[methyl(phenyl)amino]methyl}-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470674
13-{[(3-Aminophenyl)amino]methyl}-5-chloro-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470675
5-Chloro-2-ethyl-9-methyl-13-[2-(4-methylphenyl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470741
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CID 470746
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13-[2-(2-Aminopyridin-4-yl)ethyl]-5-chloro-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
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Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)-2-methylpyridine-3-carboxamide?
The IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)-2-methylpyridine-3-carboxamide (CID 50898448) is 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)-2-methylpyridine-3-carboxamide?
The canonical SMILES for 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)-2-methylpyridine-3-carboxamide is CC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(C)n2)CC1.
What is the InChIKey of 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)-2-methylpyridine-3-carboxamide?
The InChIKey is DLTWIKNGFHAZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O2/c1-16-19(7-9-23(27-16)30-13-11-29(12-14-30)17(2)31)24(32)28-18-6-8-21(25)20(15-18)22-5-3-4-10-26-22/h3-10,15H,11-14H2,1-2H3,(H,28,32).
What are the key properties of 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)-2-methylpyridine-3-carboxamide?
6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)-2-methylpyridine-3-carboxamide has a molecular weight of 449.94 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-pyridin-2-ylphenyl)-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 50898448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).