4-methyl-N-[4-methyl-1-oxo-1-(pyridin-3-ylamino)pentan-2-yl]cyclohexane-1-carboxamide

C19H29N3O2 — CID 3236151

IUPAC4-methyl-N-[4-methyl-1-oxo-1-(pyridin-3-ylamino)pentan-2-yl]cyclohexane-1-carboxamide
SMILESCC(C)CC(NC(=O)C1CCC(C)CC1)C(=O)Nc1cccnc1
InChIInChI=1S/C19H29N3O2/c1-13(2)11-17(19(24)21-16-5-4-10-20-12-16)22-18(23)15-8-6-14(3)7-9-15/h4-5,10,12-15,17H,6-9,11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyAVPJKOHNISVALD-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.38
Rot. Bonds6

About 4-methyl-N-[4-methyl-1-oxo-1-(pyridin-3-ylamino)pentan-2-yl]cyclohexane-1-carboxamide

4-methyl-N-[4-methyl-1-oxo-1-(pyridin-3-ylamino)pentan-2-yl]cyclohexane-1-carboxamide (PubChem CID 3236151) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-methyl-N-[4-methyl-1-oxo-1-(pyridin-3-ylamino)pentan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[4-methyl-1-oxo-1-(pyridin-3-ylamino)pentan-2-yl]cyclohexane-1-carboxamide
PubChem CID3236151
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name4-methyl-N-[4-methyl-1-oxo-1-(pyridin-3-ylamino)pentan-2-yl]cyclohexane-1-carboxamide
SMILESCC(C)CC(NC(=O)C1CCC(C)CC1)C(=O)Nc1cccnc1
InChIInChI=1S/C19H29N3O2/c1-13(2)11-17(19(24)21-16-5-4-10-20-12-16)22-18(23)15-8-6-14(3)7-9-15/h4-5,10,12-15,17H,6-9,11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyAVPJKOHNISVALD-UHFFFAOYSA-N
XLogP3.38
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methyl-N-[4-methyl-1-oxo-1-(pyridin-3-ylamino)pentan-2-yl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-methyl-1-oxo-1-(pyridin-3-ylamino)pentan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-methyl-N-[4-methyl-1-oxo-1-(pyridin-3-ylamino)pentan-2-yl]cyclohexane-1-carboxamide (CID 3236151) is 4-methyl-N-[4-methyl-1-oxo-1-(pyridin-3-ylamino)pentan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[4-methyl-1-oxo-1-(pyridin-3-ylamino)pentan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-methyl-N-[4-methyl-1-oxo-1-(pyridin-3-ylamino)pentan-2-yl]cyclohexane-1-carboxamide is CC(C)CC(NC(=O)C1CCC(C)CC1)C(=O)Nc1cccnc1.
What is the InChIKey of 4-methyl-N-[4-methyl-1-oxo-1-(pyridin-3-ylamino)pentan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is AVPJKOHNISVALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-13(2)11-17(19(24)21-16-5-4-10-20-12-16)22-18(23)15-8-6-14(3)7-9-15/h4-5,10,12-15,17H,6-9,11H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 4-methyl-N-[4-methyl-1-oxo-1-(pyridin-3-ylamino)pentan-2-yl]cyclohexane-1-carboxamide?
4-methyl-N-[4-methyl-1-oxo-1-(pyridin-3-ylamino)pentan-2-yl]cyclohexane-1-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-methyl-1-oxo-1-(pyridin-3-ylamino)pentan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 3236151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).