N-(4-ethoxyphenyl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-2-carboxamide

C24H26N4O2 — CID 95105307

IUPACN-(4-ethoxyphenyl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cccc(N3CCN[C@H](c4ccccc4)C3)n2)cc1
InChIInChI=1S/C24H26N4O2/c1-2-30-20-13-11-19(12-14-20)26-24(29)21-9-6-10-23(27-21)28-16-15-25-22(17-28)18-7-4-3-5-8-18/h3-14,22,25H,2,15-17H2,1H3,(H,26,29)/t22-/m0/s1
InChIKeyGJLWQYPXQJJLOD-QFIPXVFZSA-N
MW402.50 g/mol
LogP3.88
Rot. Bonds6

About N-(4-ethoxyphenyl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-2-carboxamide

N-(4-ethoxyphenyl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-2-carboxamide (PubChem CID 95105307) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-2-carboxamide
PubChem CID95105307
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN-(4-ethoxyphenyl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cccc(N3CCN[C@H](c4ccccc4)C3)n2)cc1
InChIInChI=1S/C24H26N4O2/c1-2-30-20-13-11-19(12-14-20)26-24(29)21-9-6-10-23(27-21)28-16-15-25-22(17-28)18-7-4-3-5-8-18/h3-14,22,25H,2,15-17H2,1H3,(H,26,29)/t22-/m0/s1
InChIKeyGJLWQYPXQJJLOD-QFIPXVFZSA-N
XLogP3.88
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-2-carboxamide
CID 95105227
N-(4-methoxyphenyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104932
ethyl 4-[6-[(3S)-3-phenylpiperazin-1-yl]pyridine-2-carbonyl]piperazine-1-carboxylate
CID 95105244
N-(4-fluorophenyl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105368
[2-methyl-5-(2-phenylethyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone
CID 58207469
6-(4-acetylpiperazine-1-carbonyl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109097061
6-bromo-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 103874040
[5-(2-hydroxyphenyl)-2-methyl-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen
CID 162085069
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-6-[(3S)-3-phenylpiperazin-1-yl]pyridine-2-carboxamide
CID 95105352
N-(2,3-dihydro-1H-inden-5-yl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104992
6-N-(4-ethoxyphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098190
6-N-(3,4-dimethylphenyl)-2-N-(4-ethoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100441

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-2-carboxamide (CID 95105307) is N-(4-ethoxyphenyl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-2-carboxamide is CCOc1ccc(NC(=O)c2cccc(N3CCN[C@H](c4ccccc4)C3)n2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is GJLWQYPXQJJLOD-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-2-30-20-13-11-19(12-14-20)26-24(29)21-9-6-10-23(27-21)28-16-15-25-22(17-28)18-7-4-3-5-8-18/h3-14,22,25H,2,15-17H2,1H3,(H,26,29)/t22-/m0/s1.
What are the key properties of N-(4-ethoxyphenyl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-2-carboxamide?
N-(4-ethoxyphenyl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 95105307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).