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

C19H29N3O2 — CID 4058679

IUPAC4-methyl-N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]cyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC(C(=O)NCc2ccccn2)C(C)C)CC1
InChIInChI=1S/C19H29N3O2/c1-13(2)17(19(24)21-12-16-6-4-5-11-20-16)22-18(23)15-9-7-14(3)8-10-15/h4-6,11,13-15,17H,7-10,12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyAUUMHQSQDCDATO-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.66
Rot. Bonds6

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

4-methyl-N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]cyclohexane-1-carboxamide (PubChem CID 4058679) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-methyl-N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]cyclohexane-1-carboxamide
PubChem CID4058679
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name4-methyl-N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]cyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC(C(=O)NCc2ccccn2)C(C)C)CC1
InChIInChI=1S/C19H29N3O2/c1-13(2)17(19(24)21-12-16-6-4-5-11-20-16)22-18(23)15-9-7-14(3)8-10-15/h4-6,11,13-15,17H,7-10,12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyAUUMHQSQDCDATO-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-methyl-N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]cyclohexane-1-carboxamide (CID 4058679) is 4-methyl-N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-methyl-N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]cyclohexane-1-carboxamide is CC1CCC(C(=O)NC(C(=O)NCc2ccccn2)C(C)C)CC1.
What is the InChIKey of 4-methyl-N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is AUUMHQSQDCDATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-13(2)17(19(24)21-12-16-6-4-5-11-20-16)22-18(23)15-9-7-14(3)8-10-15/h4-6,11,13-15,17H,7-10,12H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 4-methyl-N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]cyclohexane-1-carboxamide?
4-methyl-N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]cyclohexane-1-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 4058679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).