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

C19H29N3O2 — CID 3242302

IUPAC4-methyl-N-[4-methyl-1-oxo-1-(pyridin-2-ylamino)pentan-2-yl]cyclohexane-1-carboxamide
SMILESCC(C)CC(NC(=O)C1CCC(C)CC1)C(=O)Nc1ccccn1
InChIInChI=1S/C19H29N3O2/c1-13(2)12-16(19(24)22-17-6-4-5-11-20-17)21-18(23)15-9-7-14(3)8-10-15/h4-6,11,13-16H,7-10,12H2,1-3H3,(H,21,23)(H,20,22,24)
InChIKeyQUJPWEWMFZGQMK-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.38
Rot. Bonds6

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

4-methyl-N-[4-methyl-1-oxo-1-(pyridin-2-ylamino)pentan-2-yl]cyclohexane-1-carboxamide (PubChem CID 3242302) 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-2-ylamino)pentan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[4-methyl-1-oxo-1-(pyridin-2-ylamino)pentan-2-yl]cyclohexane-1-carboxamide
PubChem CID3242302
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name4-methyl-N-[4-methyl-1-oxo-1-(pyridin-2-ylamino)pentan-2-yl]cyclohexane-1-carboxamide
SMILESCC(C)CC(NC(=O)C1CCC(C)CC1)C(=O)Nc1ccccn1
InChIInChI=1S/C19H29N3O2/c1-13(2)12-16(19(24)22-17-6-4-5-11-20-17)21-18(23)15-9-7-14(3)8-10-15/h4-6,11,13-16H,7-10,12H2,1-3H3,(H,21,23)(H,20,22,24)
InChIKeyQUJPWEWMFZGQMK-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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-methyl-1-oxo-1-(pyridin-2-ylamino)pentan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-methyl-N-[4-methyl-1-oxo-1-(pyridin-2-ylamino)pentan-2-yl]cyclohexane-1-carboxamide (CID 3242302) is 4-methyl-N-[4-methyl-1-oxo-1-(pyridin-2-ylamino)pentan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[4-methyl-1-oxo-1-(pyridin-2-ylamino)pentan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-methyl-N-[4-methyl-1-oxo-1-(pyridin-2-ylamino)pentan-2-yl]cyclohexane-1-carboxamide is CC(C)CC(NC(=O)C1CCC(C)CC1)C(=O)Nc1ccccn1.
What is the InChIKey of 4-methyl-N-[4-methyl-1-oxo-1-(pyridin-2-ylamino)pentan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is QUJPWEWMFZGQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-13(2)12-16(19(24)22-17-6-4-5-11-20-17)21-18(23)15-9-7-14(3)8-10-15/h4-6,11,13-16H,7-10,12H2,1-3H3,(H,21,23)(H,20,22,24).
What are the key properties of 4-methyl-N-[4-methyl-1-oxo-1-(pyridin-2-ylamino)pentan-2-yl]cyclohexane-1-carboxamide?
4-methyl-N-[4-methyl-1-oxo-1-(pyridin-2-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-2-ylamino)pentan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 3242302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).