N,N-diethyl-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide

C20H26N4O — CID 95105030

IUPACN,N-diethyl-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
SMILESCCN(CC)C(=O)c1ccnc(N2CCN[C@@H](c3ccccc3)C2)c1
InChIInChI=1S/C20H26N4O/c1-3-23(4-2)20(25)17-10-11-22-19(14-17)24-13-12-21-18(15-24)16-8-6-5-7-9-16/h5-11,14,18,21H,3-4,12-13,15H2,1-2H3/t18-/m1/s1
InChIKeyMVQSSLUIGFVUTJ-GOSISDBHSA-N
MW338.46 g/mol
LogP2.71
Rot. Bonds5

About N,N-diethyl-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide

N,N-diethyl-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide (PubChem CID 95105030) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N,N-diethyl-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
PubChem CID95105030
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN,N-diethyl-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
SMILESCCN(CC)C(=O)c1ccnc(N2CCN[C@@H](c3ccccc3)C2)c1
InChIInChI=1S/C20H26N4O/c1-3-23(4-2)20(25)17-10-11-22-19(14-17)24-13-12-21-18(15-24)16-8-6-5-7-9-16/h5-11,14,18,21H,3-4,12-13,15H2,1-2H3/t18-/m1/s1
InChIKeyMVQSSLUIGFVUTJ-GOSISDBHSA-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-benzyl-N-methyl-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104988
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
N-[3-(dimethylamino)propyl]-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104989
2-[(3R)-3-phenylpiperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 95104929
2-[(3S)-3-phenylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 95104964
N,N-diethyl-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
CID 95104870
[2-[(3S)-3-phenylpiperazin-1-yl]-4-pyridinyl]-thiomorpholin-4-ylmethanone
CID 95104986
N-[(2-chlorophenyl)methyl]-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105024
N-(4-fluorophenyl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105368
N-[(1-methylbenzimidazol-2-yl)methyl]-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105039
N-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-4-carboxamide
CID 53180741

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide?
The IUPAC name of N,N-diethyl-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide (CID 95105030) is N,N-diethyl-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for N,N-diethyl-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for N,N-diethyl-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide is CCN(CC)C(=O)c1ccnc(N2CCN[C@@H](c3ccccc3)C2)c1.
What is the InChIKey of N,N-diethyl-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide?
The InChIKey is MVQSSLUIGFVUTJ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H26N4O/c1-3-23(4-2)20(25)17-10-11-22-19(14-17)24-13-12-21-18(15-24)16-8-6-5-7-9-16/h5-11,14,18,21H,3-4,12-13,15H2,1-2H3/t18-/m1/s1.
What are the key properties of N,N-diethyl-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide?
N,N-diethyl-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-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-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 95105030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).