4-(4-methylpiperazine-1-carbonyl)-N-(1-phenylethyl)pyridine-2-carboxamide

C20H24N4O2 — CID 109084145

IUPAC4-(4-methylpiperazine-1-carbonyl)-N-(1-phenylethyl)pyridine-2-carboxamide
SMILESCC(NC(=O)c1cc(C(=O)N2CCN(C)CC2)ccn1)c1ccccc1
InChIInChI=1S/C20H24N4O2/c1-15(16-6-4-3-5-7-16)22-19(25)18-14-17(8-9-21-18)20(26)24-12-10-23(2)11-13-24/h3-9,14-15H,10-13H2,1-2H3,(H,22,25)
InChIKeyREIMRKADRPSHFY-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.96
Rot. Bonds4

About 4-(4-methylpiperazine-1-carbonyl)-N-(1-phenylethyl)pyridine-2-carboxamide

4-(4-methylpiperazine-1-carbonyl)-N-(1-phenylethyl)pyridine-2-carboxamide (PubChem CID 109084145) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-(4-methylpiperazine-1-carbonyl)-N-(1-phenylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-methylpiperazine-1-carbonyl)-N-(1-phenylethyl)pyridine-2-carboxamide
PubChem CID109084145
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name4-(4-methylpiperazine-1-carbonyl)-N-(1-phenylethyl)pyridine-2-carboxamide
SMILESCC(NC(=O)c1cc(C(=O)N2CCN(C)CC2)ccn1)c1ccccc1
InChIInChI=1S/C20H24N4O2/c1-15(16-6-4-3-5-7-16)22-19(25)18-14-17(8-9-21-18)20(26)24-12-10-23(2)11-13-24/h3-9,14-15H,10-13H2,1-2H3,(H,22,25)
InChIKeyREIMRKADRPSHFY-UHFFFAOYSA-N
XLogP1.96
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109086112
4-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 115730036
4-(4-benzylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide
CID 109078255
N-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109080186
2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109086077
4-(4-methylpiperidine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide
CID 109078214
3-(4-ethylpiperazine-1-carbonyl)-N-(1-phenylethyl)benzamide
CID 109053638
4-(cycloheptylamino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210668
4-N-(3-fluorophenyl)-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086154
4-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109203446
2-N-(4-acetylphenyl)-4-N-(1-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086071
4-N-[(4-chlorophenyl)methyl]-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086090

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazine-1-carbonyl)-N-(1-phenylethyl)pyridine-2-carboxamide?
The IUPAC name of 4-(4-methylpiperazine-1-carbonyl)-N-(1-phenylethyl)pyridine-2-carboxamide (CID 109084145) is 4-(4-methylpiperazine-1-carbonyl)-N-(1-phenylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-methylpiperazine-1-carbonyl)-N-(1-phenylethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(4-methylpiperazine-1-carbonyl)-N-(1-phenylethyl)pyridine-2-carboxamide is CC(NC(=O)c1cc(C(=O)N2CCN(C)CC2)ccn1)c1ccccc1.
What is the InChIKey of 4-(4-methylpiperazine-1-carbonyl)-N-(1-phenylethyl)pyridine-2-carboxamide?
The InChIKey is REIMRKADRPSHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-15(16-6-4-3-5-7-16)22-19(25)18-14-17(8-9-21-18)20(26)24-12-10-23(2)11-13-24/h3-9,14-15H,10-13H2,1-2H3,(H,22,25).
What are the key properties of 4-(4-methylpiperazine-1-carbonyl)-N-(1-phenylethyl)pyridine-2-carboxamide?
4-(4-methylpiperazine-1-carbonyl)-N-(1-phenylethyl)pyridine-2-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazine-1-carbonyl)-N-(1-phenylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109084145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).