N,N-diethyl-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide

C20H26N4O — CID 95104870

IUPACN,N-diethyl-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1cccnc1N1CCN[C@H](c2ccccc2)C1
InChIInChI=1S/C20H26N4O/c1-3-23(4-2)20(25)17-11-8-12-22-19(17)24-14-13-21-18(15-24)16-9-6-5-7-10-16/h5-12,18,21H,3-4,13-15H2,1-2H3/t18-/m0/s1
InChIKeyGUYZPAKQDIHYNI-SFHVURJKSA-N
MW338.46 g/mol
LogP2.71
Rot. Bonds5

About N,N-diethyl-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide

N,N-diethyl-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide (PubChem CID 95104870) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N,N-diethyl-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
PubChem CID95104870
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN,N-diethyl-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1cccnc1N1CCN[C@H](c2ccccc2)C1
InChIInChI=1S/C20H26N4O/c1-3-23(4-2)20(25)17-11-8-12-22-19(17)24-14-13-21-18(15-24)16-9-6-5-7-10-16/h5-12,18,21H,3-4,13-15H2,1-2H3/t18-/m0/s1
InChIKeyGUYZPAKQDIHYNI-SFHVURJKSA-N
XLogP2.71
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
CID 95104876
N,N-diethyl-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105030
2-[(3S)-3-phenylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 95104807
N-[(4-methoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 53180638
2-(azepan-1-yl)-N,N-diethylpyridine-3-carboxamide
CID 84577154
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 53180625
[4-(4-fluorophenyl)piperazin-1-yl]-[2-[(3S)-3-phenylpiperazin-1-yl]-3-pyridinyl]methanone
CID 95104861
[4-(3-methylphenyl)piperazin-1-yl]-[2-[(3S)-3-phenylpiperazin-1-yl]-3-pyridinyl]methanone
CID 95104857
5-ethyl-4-[(3S)-3-phenylpiperazin-1-yl]pyrimidin-2-amine
CID 97192131
5-ethyl-4-[(3R)-3-phenylpiperazin-1-yl]pyrimidin-2-amine
CID 97192130
5-ethyl-4-(3-phenylpiperazin-1-yl)pyrimidin-2-amine
CID 72862152
N-ethyl-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
CID 95105098

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N,N-diethyl-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide (CID 95104870) is N,N-diethyl-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N,N-diethyl-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide is CCN(CC)C(=O)c1cccnc1N1CCN[C@H](c2ccccc2)C1.
What is the InChIKey of N,N-diethyl-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is GUYZPAKQDIHYNI-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26N4O/c1-3-23(4-2)20(25)17-11-8-12-22-19(17)24-14-13-21-18(15-24)16-9-6-5-7-10-16/h5-12,18,21H,3-4,13-15H2,1-2H3/t18-/m0/s1.
What are the key properties of N,N-diethyl-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide?
N,N-diethyl-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 95104870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).