N-(2,4-dimethylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide

C23H25N5O — CID 109194484

IUPACN-(2,4-dimethylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCN(c4ccccn4)CC3)cn2)c(C)c1
InChIInChI=1S/C23H25N5O/c1-17-6-8-20(18(2)15-17)26-23(29)21-9-7-19(16-25-21)27-11-13-28(14-12-27)22-5-3-4-10-24-22/h3-10,15-16H,11-14H2,1-2H3,(H,26,29)
InChIKeyJWMGUQDQHIHJJT-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.67
Rot. Bonds4

About N-(2,4-dimethylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide

N-(2,4-dimethylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 109194484) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID109194484
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC NameN-(2,4-dimethylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCN(c4ccccn4)CC3)cn2)c(C)c1
InChIInChI=1S/C23H25N5O/c1-17-6-8-20(18(2)15-17)26-23(29)21-9-7-19(16-25-21)27-11-13-28(14-12-27)22-5-3-4-10-24-22/h3-10,15-16H,11-14H2,1-2H3,(H,26,29)
InChIKeyJWMGUQDQHIHJJT-UHFFFAOYSA-N
XLogP3.67
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(azepan-1-yl)-N-(2,4-dimethylphenyl)pyridine-2-carboxamide
CID 109196864
3-methyl-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 113029571
N-(2,4-dimethylphenyl)-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278943
2-[(2-methylbenzoyl)amino]-5-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid
CID 50781891
N-(4-chloro-2-methylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186847
N-(3-methylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109286617
N-(pyridin-4-ylmethyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109191479
N-(2,3-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109193453
5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109194366
N-(4-iodo-2-methylphenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108516460
N-(3,4-dimethylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109286623
N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide
CID 113029557

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide (CID 109194484) is N-(2,4-dimethylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2ccc(N3CCN(c4ccccn4)CC3)cn2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is JWMGUQDQHIHJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-17-6-8-20(18(2)15-17)26-23(29)21-9-7-19(16-25-21)27-11-13-28(14-12-27)22-5-3-4-10-24-22/h3-10,15-16H,11-14H2,1-2H3,(H,26,29).
What are the key properties of N-(2,4-dimethylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide?
N-(2,4-dimethylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109194484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).