N-[3-(dimethylamino)propyl]-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide

C21H29N5O — CID 95104989

IUPACN-[3-(dimethylamino)propyl]-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
SMILESCN(C)CCCNC(=O)c1ccnc(N2CCN[C@H](c3ccccc3)C2)c1
InChIInChI=1S/C21H29N5O/c1-25(2)13-6-10-24-21(27)18-9-11-23-20(15-18)26-14-12-22-19(16-26)17-7-4-3-5-8-17/h3-5,7-9,11,15,19,22H,6,10,12-14,16H2,1-2H3,(H,24,27)/t19-/m0/s1
InChIKeyJEBCUVZTWKTCMZ-IBGZPJMESA-N
MW367.50 g/mol
LogP1.91
Rot. Bonds7

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

N-[3-(dimethylamino)propyl]-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide (PubChem CID 95104989) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
PubChem CID95104989
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC NameN-[3-(dimethylamino)propyl]-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
SMILESCN(C)CCCNC(=O)c1ccnc(N2CCN[C@H](c3ccccc3)C2)c1
InChIInChI=1S/C21H29N5O/c1-25(2)13-6-10-24-21(27)18-9-11-23-20(15-18)26-14-12-22-19(16-26)17-7-4-3-5-8-17/h3-5,7-9,11,15,19,22H,6,10,12-14,16H2,1-2H3,(H,24,27)/t19-/m0/s1
InChIKeyJEBCUVZTWKTCMZ-IBGZPJMESA-N
XLogP1.91
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-phenylpiperazin-1-yl)-N-propylpyridine-4-carboxamide
CID 53180668
N-(3-morpholin-4-ylpropyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104938
2-[(3S)-3-phenylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 95104964
N-[(4-ethylphenyl)methyl]-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105385
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-benzyl-N-methyl-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104988
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-(2-methoxyphenyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104934
N-(4-fluorophenyl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105368

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide (CID 95104989) is N-[3-(dimethylamino)propyl]-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide is CN(C)CCCNC(=O)c1ccnc(N2CCN[C@H](c3ccccc3)C2)c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide?
The InChIKey is JEBCUVZTWKTCMZ-IBGZPJMESA-N. The full InChI is InChI=1S/C21H29N5O/c1-25(2)13-6-10-24-21(27)18-9-11-23-20(15-18)26-14-12-22-19(16-26)17-7-4-3-5-8-17/h3-5,7-9,11,15,19,22H,6,10,12-14,16H2,1-2H3,(H,24,27)/t19-/m0/s1.
What are the key properties of N-[3-(dimethylamino)propyl]-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide?
N-[3-(dimethylamino)propyl]-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide has a molecular weight of 367.50 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 95104989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).