N-[(4-methoxyphenyl)methyl]-2-[4-(2-methylpentanoyl)piperazin-1-yl]pyridine-3-carboxamide

C24H32N4O3 — CID 46084391

IUPACN-[(4-methoxyphenyl)methyl]-2-[4-(2-methylpentanoyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCCCC(C)C(=O)N1CCN(c2ncccc2C(=O)NCc2ccc(OC)cc2)CC1
InChIInChI=1S/C24H32N4O3/c1-4-6-18(2)24(30)28-15-13-27(14-16-28)22-21(7-5-12-25-22)23(29)26-17-19-8-10-20(31-3)11-9-19/h5,7-12,18H,4,6,13-17H2,1-3H3,(H,26,29)
InChIKeyVZOIIMHNQJWGCV-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.11
Rot. Bonds8

About N-[(4-methoxyphenyl)methyl]-2-[4-(2-methylpentanoyl)piperazin-1-yl]pyridine-3-carboxamide

N-[(4-methoxyphenyl)methyl]-2-[4-(2-methylpentanoyl)piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 46084391) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-[4-(2-methylpentanoyl)piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-[4-(2-methylpentanoyl)piperazin-1-yl]pyridine-3-carboxamide
PubChem CID46084391
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-[4-(2-methylpentanoyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCCCC(C)C(=O)N1CCN(c2ncccc2C(=O)NCc2ccc(OC)cc2)CC1
InChIInChI=1S/C24H32N4O3/c1-4-6-18(2)24(30)28-15-13-27(14-16-28)22-21(7-5-12-25-22)23(29)26-17-19-8-10-20(31-3)11-9-19/h5,7-12,18H,4,6,13-17H2,1-3H3,(H,26,29)
InChIKeyVZOIIMHNQJWGCV-UHFFFAOYSA-N
XLogP3.11
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-[4-[3-[(4-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]piperazin-1-yl]-1-oxopropan-2-yl] acetate
CID 46084330
N-[(3-fluorophenyl)methyl]-4-[3-[(4-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
CID 46084660
ethyl 4-[[4-[3-[(4-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carbonyl]amino]butanoate
CID 46084667
N-(2-chloro-5-methylphenyl)-4-[3-[(4-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
CID 46084656
N-[(4-methoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 53180638
N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 55743673
2-[(4-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 19154817
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 84576958
N-[(4-methoxyphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 27516864
2-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 84573928
2-pyrrolidin-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 17482313
4-methyl-2-[4-(2-methylpentanoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 53021494

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[4-(2-methylpentanoyl)piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[4-(2-methylpentanoyl)piperazin-1-yl]pyridine-3-carboxamide (CID 46084391) is N-[(4-methoxyphenyl)methyl]-2-[4-(2-methylpentanoyl)piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-[4-(2-methylpentanoyl)piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-[4-(2-methylpentanoyl)piperazin-1-yl]pyridine-3-carboxamide is CCCC(C)C(=O)N1CCN(c2ncccc2C(=O)NCc2ccc(OC)cc2)CC1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-[4-(2-methylpentanoyl)piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is VZOIIMHNQJWGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-4-6-18(2)24(30)28-15-13-27(14-16-28)22-21(7-5-12-25-22)23(29)26-17-19-8-10-20(31-3)11-9-19/h5,7-12,18H,4,6,13-17H2,1-3H3,(H,26,29).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-[4-(2-methylpentanoyl)piperazin-1-yl]pyridine-3-carboxamide?
N-[(4-methoxyphenyl)methyl]-2-[4-(2-methylpentanoyl)piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-[4-(2-methylpentanoyl)piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 46084391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).