2-(3-phenylpiperazin-1-yl)-N-propylpyridine-4-carboxamide

C19H24N4O — CID 53180668

IUPAC2-(3-phenylpiperazin-1-yl)-N-propylpyridine-4-carboxamide
SMILESCCCNC(=O)c1ccnc(N2CCNC(c3ccccc3)C2)c1
InChIInChI=1S/C19H24N4O/c1-2-9-22-19(24)16-8-10-21-18(13-16)23-12-11-20-17(14-23)15-6-4-3-5-7-15/h3-8,10,13,17,20H,2,9,11-12,14H2,1H3,(H,22,24)
InChIKeyUDFBJTXCXKJHAU-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.37
Rot. Bonds5

About 2-(3-phenylpiperazin-1-yl)-N-propylpyridine-4-carboxamide

2-(3-phenylpiperazin-1-yl)-N-propylpyridine-4-carboxamide (PubChem CID 53180668) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-(3-phenylpiperazin-1-yl)-N-propylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3-phenylpiperazin-1-yl)-N-propylpyridine-4-carboxamide
PubChem CID53180668
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name2-(3-phenylpiperazin-1-yl)-N-propylpyridine-4-carboxamide
SMILESCCCNC(=O)c1ccnc(N2CCNC(c3ccccc3)C2)c1
InChIInChI=1S/C19H24N4O/c1-2-9-22-19(24)16-8-10-21-18(13-16)23-12-11-20-17(14-23)15-6-4-3-5-7-15/h3-8,10,13,17,20H,2,9,11-12,14H2,1H3,(H,22,24)
InChIKeyUDFBJTXCXKJHAU-UHFFFAOYSA-N
XLogP2.37
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylamino)propyl]-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104989
N-[(4-ethylphenyl)methyl]-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105385
2-[(3S)-3-phenylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 95104964
2-[(3R)-3-phenylpiperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 95104929
N,N-diethyl-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105030
N-[(2-chlorophenyl)methyl]-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105024
N-(3-morpholin-4-ylpropyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104938
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
N-(4-fluorophenyl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105368
N-benzyl-N-methyl-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104988
N-(4-methoxyphenyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104932

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpiperazin-1-yl)-N-propylpyridine-4-carboxamide?
The IUPAC name of 2-(3-phenylpiperazin-1-yl)-N-propylpyridine-4-carboxamide (CID 53180668) is 2-(3-phenylpiperazin-1-yl)-N-propylpyridine-4-carboxamide.
What is the SMILES notation for 2-(3-phenylpiperazin-1-yl)-N-propylpyridine-4-carboxamide?
The canonical SMILES for 2-(3-phenylpiperazin-1-yl)-N-propylpyridine-4-carboxamide is CCCNC(=O)c1ccnc(N2CCNC(c3ccccc3)C2)c1.
What is the InChIKey of 2-(3-phenylpiperazin-1-yl)-N-propylpyridine-4-carboxamide?
The InChIKey is UDFBJTXCXKJHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-2-9-22-19(24)16-8-10-21-18(13-16)23-12-11-20-17(14-23)15-6-4-3-5-7-15/h3-8,10,13,17,20H,2,9,11-12,14H2,1H3,(H,22,24).
What are the key properties of 2-(3-phenylpiperazin-1-yl)-N-propylpyridine-4-carboxamide?
2-(3-phenylpiperazin-1-yl)-N-propylpyridine-4-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpiperazin-1-yl)-N-propylpyridine-4-carboxamide is sourced from PubChem (CID 53180668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).