N-(4-ethylphenyl)-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide

C24H26N4O — CID 109215237

IUPACN-(4-ethylphenyl)-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(N3CCN(c4ccccc4)CC3)ccn2)cc1
InChIInChI=1S/C24H26N4O/c1-2-19-8-10-20(11-9-19)26-24(29)23-18-22(12-13-25-23)28-16-14-27(15-17-28)21-6-4-3-5-7-21/h3-13,18H,2,14-17H2,1H3,(H,26,29)
InChIKeyVIOQUPNKPZVMTB-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.22
Rot. Bonds5

About N-(4-ethylphenyl)-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide

N-(4-ethylphenyl)-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 109215237) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID109215237
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC NameN-(4-ethylphenyl)-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(N3CCN(c4ccccc4)CC3)ccn2)cc1
InChIInChI=1S/C24H26N4O/c1-2-19-8-10-20(11-9-19)26-24(29)23-18-22(12-13-25-23)28-16-14-27(15-17-28)21-6-4-3-5-7-21/h3-13,18H,2,14-17H2,1H3,(H,26,29)
InChIKeyVIOQUPNKPZVMTB-UHFFFAOYSA-N
XLogP4.22
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204642
N-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109215246
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)pyridine-2-carboxamide
CID 109213884
ethyl 4-[2-(phenylcarbamoyl)-4-pyridinyl]piperazine-1-carboxylate
CID 109215966
4-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109208359
N-(4-acetamidophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203936
4-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
CID 109218895
4-(4-phenylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide
CID 109202122
4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)pyridine-2-carboxamide
CID 109084898
4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)pyridine-2-carboxamide
CID 109209206
N-(4-ethoxyphenyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204671
N-[(4-fluorophenyl)methyl]-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109211394

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide (CID 109215237) is N-(4-ethylphenyl)-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide is CCc1ccc(NC(=O)c2cc(N3CCN(c4ccccc4)CC3)ccn2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is VIOQUPNKPZVMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-2-19-8-10-20(11-9-19)26-24(29)23-18-22(12-13-25-23)28-16-14-27(15-17-28)21-6-4-3-5-7-21/h3-13,18H,2,14-17H2,1H3,(H,26,29).
What are the key properties of N-(4-ethylphenyl)-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide?
N-(4-ethylphenyl)-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109215237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).