N-ethyl-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide

C18H22N4O — CID 95105098

IUPACN-ethyl-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(N2CCN[C@H](c3ccccc3)C2)nc1
InChIInChI=1S/C18H22N4O/c1-2-19-18(23)15-8-9-17(21-12-15)22-11-10-20-16(13-22)14-6-4-3-5-7-14/h3-9,12,16,20H,2,10-11,13H2,1H3,(H,19,23)/t16-/m0/s1
InChIKeyQNTSFUBWVVGOBY-INIZCTEOSA-N
MW310.40 g/mol
LogP1.98
Rot. Bonds4

About N-ethyl-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide

N-ethyl-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide (PubChem CID 95105098) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-ethyl-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
PubChem CID95105098
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-ethyl-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(N2CCN[C@H](c3ccccc3)C2)nc1
InChIInChI=1S/C18H22N4O/c1-2-19-18(23)15-8-9-17(21-12-15)22-11-10-20-16(13-22)14-6-4-3-5-7-14/h3-9,12,16,20H,2,10-11,13H2,1H3,(H,19,23)/t16-/m0/s1
InChIKeyQNTSFUBWVVGOBY-INIZCTEOSA-N
XLogP1.98
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutyl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 53180758
6-(3-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 53202881
N-[3-(4-methylpiperidin-1-yl)propyl]-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
CID 95105402
6-[(3R)-3-phenylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 95105130
1-[4-[6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 95105166
N-(3,4-dimethoxyphenyl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
CID 95105106
(4-phenylpiperazin-1-yl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-pyridinyl]methanone
CID 95105158
2-(3-phenylpiperazin-1-yl)-N-propylpyridine-4-carboxamide
CID 53180668
N-[(4-ethylphenyl)methyl]-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105385
[4-(4-fluorophenyl)piperazin-1-yl]-[6-[(3R)-3-phenylpiperazin-1-yl]-3-pyridinyl]methanone
CID 95105164
[4-(3-methylphenyl)piperazin-1-yl]-[6-(3-phenylpiperazin-1-yl)-3-pyridinyl]methanone
CID 53180808
N-ethyl-6-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 133314214

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-ethyl-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide (CID 95105098) is N-ethyl-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide is CCNC(=O)c1ccc(N2CCN[C@H](c3ccccc3)C2)nc1.
What is the InChIKey of N-ethyl-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is QNTSFUBWVVGOBY-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N4O/c1-2-19-18(23)15-8-9-17(21-12-15)22-11-10-20-16(13-22)14-6-4-3-5-7-14/h3-9,12,16,20H,2,10-11,13H2,1H3,(H,19,23)/t16-/m0/s1.
What are the key properties of N-ethyl-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide?
N-ethyl-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 95105098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).