6-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]-N-propan-2-ylpyridine-3-carboxamide

C20H31N3O2 — CID 42851957

IUPAC6-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]-N-propan-2-ylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC(C)C)c(C2CCN(C(=O)CC(C)C)CC2)n1
InChIInChI=1S/C20H31N3O2/c1-13(2)12-18(24)23-10-8-16(9-11-23)19-17(7-6-15(5)22-19)20(25)21-14(3)4/h6-7,13-14,16H,8-12H2,1-5H3,(H,21,25)
InChIKeyCXSOHHNCBNKOTG-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.28
Rot. Bonds5

About 6-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]-N-propan-2-ylpyridine-3-carboxamide

6-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 42851957) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 6-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]-N-propan-2-ylpyridine-3-carboxamide
PubChem CID42851957
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name6-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]-N-propan-2-ylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC(C)C)c(C2CCN(C(=O)CC(C)C)CC2)n1
InChIInChI=1S/C20H31N3O2/c1-13(2)12-18(24)23-10-8-16(9-11-23)19-17(7-6-15(5)22-19)20(25)21-14(3)4/h6-7,13-14,16H,8-12H2,1-5H3,(H,21,25)
InChIKeyCXSOHHNCBNKOTG-UHFFFAOYSA-N
XLogP3.28
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxyphenyl)methyl]-6-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 46068524
2-[1-(2-methoxybenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 42851966
2-[1-(3-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 42868016
6-methyl-N-(3-methylbutyl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42852034
2-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 42851965
N,6-dimethyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42868064
2-(1-benzoylpiperidin-4-yl)-6-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 46044678
6-methyl-N-[(2-methylphenyl)methyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 46068495
N-(2-methoxyethyl)-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42868008
methyl (2S)-2-acetamido-4-[4-[6-methyl-3-(2-thiophen-2-ylethylcarbamoyl)-2-pyridinyl]piperidin-1-yl]-4-oxobutanoate
CID 74227185
2-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-N-(4-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 46044700
2-[1-(4-bromobenzoyl)piperidin-4-yl]-6-methyl-N-(1-phenylethyl)pyridine-3-carboxamide
CID 42867125

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]-N-propan-2-ylpyridine-3-carboxamide (CID 42851957) is 6-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]-N-propan-2-ylpyridine-3-carboxamide is Cc1ccc(C(=O)NC(C)C)c(C2CCN(C(=O)CC(C)C)CC2)n1.
What is the InChIKey of 6-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is CXSOHHNCBNKOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-13(2)12-18(24)23-10-8-16(9-11-23)19-17(7-6-15(5)22-19)20(25)21-14(3)4/h6-7,13-14,16H,8-12H2,1-5H3,(H,21,25).
What are the key properties of 6-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]-N-propan-2-ylpyridine-3-carboxamide?
6-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 42851957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).