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

C18H27N3O2 — CID 4058680

IUPAC4-methyl-N-[3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]cyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC(C(=O)Nc2ccccn2)C(C)C)CC1
InChIInChI=1S/C18H27N3O2/c1-12(2)16(18(23)20-15-6-4-5-11-19-15)21-17(22)14-9-7-13(3)8-10-14/h4-6,11-14,16H,7-10H2,1-3H3,(H,21,22)(H,19,20,23)
InChIKeyHSKXGVAKSUZXTK-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.99
Rot. Bonds5

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

4-methyl-N-[3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]cyclohexane-1-carboxamide (PubChem CID 4058680) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 4-methyl-N-[3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]cyclohexane-1-carboxamide
PubChem CID4058680
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name4-methyl-N-[3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]cyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC(C(=O)Nc2ccccn2)C(C)C)CC1
InChIInChI=1S/C18H27N3O2/c1-12(2)16(18(23)20-15-6-4-5-11-19-15)21-17(22)14-9-7-13(3)8-10-14/h4-6,11-14,16H,7-10H2,1-3H3,(H,21,22)(H,19,20,23)
InChIKeyHSKXGVAKSUZXTK-UHFFFAOYSA-N
XLogP2.99
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.99
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-ylamino)butan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-methyl-N-[3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]cyclohexane-1-carboxamide (CID 4058680) is 4-methyl-N-[3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-methyl-N-[3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]cyclohexane-1-carboxamide is CC1CCC(C(=O)NC(C(=O)Nc2ccccn2)C(C)C)CC1.
What is the InChIKey of 4-methyl-N-[3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is HSKXGVAKSUZXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-12(2)16(18(23)20-15-6-4-5-11-19-15)21-17(22)14-9-7-13(3)8-10-14/h4-6,11-14,16H,7-10H2,1-3H3,(H,21,22)(H,19,20,23).
What are the key properties of 4-methyl-N-[3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]cyclohexane-1-carboxamide?
4-methyl-N-[3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]cyclohexane-1-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.99, 5 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-ylamino)butan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 4058680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).