N-(3-methylbutyl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide

C21H28N4O — CID 53180758

IUPACN-(3-methylbutyl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCC(C)CCNC(=O)c1ccc(N2CCNC(c3ccccc3)C2)nc1
InChIInChI=1S/C21H28N4O/c1-16(2)10-11-23-21(26)18-8-9-20(24-14-18)25-13-12-22-19(15-25)17-6-4-3-5-7-17/h3-9,14,16,19,22H,10-13,15H2,1-2H3,(H,23,26)
InChIKeyMOYJFKJUAHGNJT-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.01
Rot. Bonds6

About N-(3-methylbutyl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide

N-(3-methylbutyl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 53180758) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(3-methylbutyl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID53180758
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-(3-methylbutyl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCC(C)CCNC(=O)c1ccc(N2CCNC(c3ccccc3)C2)nc1
InChIInChI=1S/C21H28N4O/c1-16(2)10-11-23-21(26)18-8-9-20(24-14-18)25-13-12-22-19(15-25)17-6-4-3-5-7-17/h3-9,14,16,19,22H,10-13,15H2,1-2H3,(H,23,26)
InChIKeyMOYJFKJUAHGNJT-UHFFFAOYSA-N
XLogP3.01
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
CID 95105098
N-[3-(4-methylpiperidin-1-yl)propyl]-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
CID 95105402
6-(3-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 53202881
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
2-(3-phenylpiperazin-1-yl)-N-propylpyridine-4-carboxamide
CID 53180668
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
N-[3-(dimethylamino)propyl]-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104989
6-(3-methylpiperazin-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 56755506
N-(3-aminobutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119495810
[4-(4-fluorophenyl)piperazin-1-yl]-[6-[(3R)-3-phenylpiperazin-1-yl]-3-pyridinyl]methanone
CID 95105164

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(3-methylbutyl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide (CID 53180758) is N-(3-methylbutyl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide is CC(C)CCNC(=O)c1ccc(N2CCNC(c3ccccc3)C2)nc1.
What is the InChIKey of N-(3-methylbutyl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is MOYJFKJUAHGNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-16(2)10-11-23-21(26)18-8-9-20(24-14-18)25-13-12-22-19(15-25)17-6-4-3-5-7-17/h3-9,14,16,19,22H,10-13,15H2,1-2H3,(H,23,26).
What are the key properties of N-(3-methylbutyl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide?
N-(3-methylbutyl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 53180758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).