N-(3-methylbutyl)-5-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide

C22H30N4O — CID 109238422

IUPACN-(3-methylbutyl)-5-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCc1cccc(N2CCN(c3cncc(C(=O)NCCC(C)C)c3)CC2)c1
InChIInChI=1S/C22H30N4O/c1-17(2)7-8-24-22(27)19-14-21(16-23-15-19)26-11-9-25(10-12-26)20-6-4-5-18(3)13-20/h4-6,13-17H,7-12H2,1-3H3,(H,24,27)
InChIKeyDCOFGGZTUZCXQW-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.49
Rot. Bonds6

About N-(3-methylbutyl)-5-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide

N-(3-methylbutyl)-5-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 109238422) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is N-(3-methylbutyl)-5-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-5-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide
PubChem CID109238422
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC NameN-(3-methylbutyl)-5-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCc1cccc(N2CCN(c3cncc(C(=O)NCCC(C)C)c3)CC2)c1
InChIInChI=1S/C22H30N4O/c1-17(2)7-8-24-22(27)19-14-21(16-23-15-19)26-11-9-25(10-12-26)20-6-4-5-18(3)13-20/h4-6,13-17H,7-12H2,1-3H3,(H,24,27)
InChIKeyDCOFGGZTUZCXQW-UHFFFAOYSA-N
XLogP3.49
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide
CID 109238474
N-(3-methylbutyl)-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228614
5-(azepan-1-yl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232264
N-[(3-methylphenyl)methyl]-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226461
N-(3-methylbutyl)-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 109239859
N-(3-methylbutyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 109149372
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-propylpyridine-3-carboxamide
CID 109222825
[5-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226310
2-(3-methylbutylamino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 109004007
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-4-carboxamide
CID 109174454
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885244
N-(3-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225773

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-5-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-(3-methylbutyl)-5-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide (CID 109238422) is N-(3-methylbutyl)-5-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-5-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-5-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide is Cc1cccc(N2CCN(c3cncc(C(=O)NCCC(C)C)c3)CC2)c1.
What is the InChIKey of N-(3-methylbutyl)-5-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is DCOFGGZTUZCXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-17(2)7-8-24-22(27)19-14-21(16-23-15-19)26-11-9-25(10-12-26)20-6-4-5-18(3)13-20/h4-6,13-17H,7-12H2,1-3H3,(H,24,27).
What are the key properties of N-(3-methylbutyl)-5-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide?
N-(3-methylbutyl)-5-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-5-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 109238422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).