N-(2-methylbutyl)-6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide

C24H32N4O2 — CID 68740844

IUPACN-(2-methylbutyl)-6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESCCC(C)CNC(=O)c1ccc(N2CCN(C(=O)Cc3ccc(C)cc3)CC2)nc1
InChIInChI=1S/C24H32N4O2/c1-4-18(2)16-26-24(30)21-9-10-22(25-17-21)27-11-13-28(14-12-27)23(29)15-20-7-5-19(3)6-8-20/h5-10,17-18H,4,11-16H2,1-3H3,(H,26,30)
InChIKeyXJQYDPHGQICZTM-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.06
Rot. Bonds7

About N-(2-methylbutyl)-6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide

N-(2-methylbutyl)-6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 68740844) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-(2-methylbutyl)-6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylbutyl)-6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide
PubChem CID68740844
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC NameN-(2-methylbutyl)-6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESCCC(C)CNC(=O)c1ccc(N2CCN(C(=O)Cc3ccc(C)cc3)CC2)nc1
InChIInChI=1S/C24H32N4O2/c1-4-18(2)16-26-24(30)21-9-10-22(25-17-21)27-11-13-28(14-12-27)23(29)15-20-7-5-19(3)6-8-20/h5-10,17-18H,4,11-16H2,1-3H3,(H,26,30)
InChIKeyXJQYDPHGQICZTM-UHFFFAOYSA-N
XLogP3.06
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 68740126
N-[2-(3-chlorophenyl)ethyl]-6-[4-[2-(4-chlorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide;N-[2-(3-chlorophenyl)ethyl]-6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide
CID 159898976
6-(azepan-1-yl)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide
CID 111447123
6-[4-(2-phenylacetyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971614
N-(3-amino-2-methylpropyl)-6-(azepan-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 119996255
N-[(2R)-2-(ethylamino)propyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 120652401
6-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]-N-pentan-2-ylpyridine-3-carboxamide
CID 68738298
6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109151899
ethyl 6-[4-[2-(2-methylbutanoylamino)acetyl]piperazin-1-yl]pyridine-3-carboxylate
CID 55940492
6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 133486045
2-(4-methylphenyl)-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 24598564
methane;1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(5-methyl-2-pyridinyl)-N-(4-propan-2-ylphenyl)-1,4-diazepane-1-carboxamide;bis(4-(5-methyl-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide)
CID 161299123

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutyl)-6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-(2-methylbutyl)-6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide (CID 68740844) is N-(2-methylbutyl)-6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methylbutyl)-6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(2-methylbutyl)-6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide is CCC(C)CNC(=O)c1ccc(N2CCN(C(=O)Cc3ccc(C)cc3)CC2)nc1.
What is the InChIKey of N-(2-methylbutyl)-6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is XJQYDPHGQICZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-4-18(2)16-26-24(30)21-9-10-22(25-17-21)27-11-13-28(14-12-27)23(29)15-20-7-5-19(3)6-8-20/h5-10,17-18H,4,11-16H2,1-3H3,(H,26,30).
What are the key properties of N-(2-methylbutyl)-6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide?
N-(2-methylbutyl)-6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutyl)-6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 68740844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).