N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-oxo-4-pyridin-3-ylbutanamide

C17H24N2O3 — CID 110631539

IUPACN-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-oxo-4-pyridin-3-ylbutanamide
SMILESO=C(CCC(=O)c1cccnc1)NCC1(CO)CCCCC1
InChIInChI=1S/C17H24N2O3/c20-13-17(8-2-1-3-9-17)12-19-16(22)7-6-15(21)14-5-4-10-18-11-14/h4-5,10-11,20H,1-3,6-9,12-13H2,(H,19,22)
InChIKeyGIBXZYTYGCIOEM-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.10
Rot. Bonds7

About N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-oxo-4-pyridin-3-ylbutanamide

N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-oxo-4-pyridin-3-ylbutanamide (PubChem CID 110631539) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-oxo-4-pyridin-3-ylbutanamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-oxo-4-pyridin-3-ylbutanamide
PubChem CID110631539
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-oxo-4-pyridin-3-ylbutanamide
SMILESO=C(CCC(=O)c1cccnc1)NCC1(CO)CCCCC1
InChIInChI=1S/C17H24N2O3/c20-13-17(8-2-1-3-9-17)12-19-16(22)7-6-15(21)14-5-4-10-18-11-14/h4-5,10-11,20H,1-3,6-9,12-13H2,(H,19,22)
InChIKeyGIBXZYTYGCIOEM-UHFFFAOYSA-N
XLogP2.10
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-N-(2-piperidin-1-ylpropyl)-4-pyridin-3-ylbutanamide
CID 110620637
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-phenoxypropanamide
CID 110292567
N-[[1-(chloromethyl)cyclopentyl]methyl]pyridine-3-carboxamide
CID 115364055
N-[1-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide
CID 62520732
methyl 4-oxo-4-pyridin-3-ylbutanoate
CID 15913004
N-(2-methylsulfonylethyl)-4-oxo-4-pyridin-3-ylbutanamide
CID 110612486
4-oxo-N-(4-phenoxyphenyl)-4-pyridin-3-ylbutanamide
CID 110425632
4-(4-chlorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-oxobutanamide
CID 110310297
N'-(4-oxo-4-phenylbutanoyl)pyridine-3-carbohydrazide
CID 35152458
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-phenylbutanamide
CID 115362564
2-[1-(aminomethyl)cyclobutyl]-1-pyridin-3-ylethanone
CID 116599471
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-phenylacetamide
CID 110416748

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-oxo-4-pyridin-3-ylbutanamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-oxo-4-pyridin-3-ylbutanamide (CID 110631539) is N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-oxo-4-pyridin-3-ylbutanamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-oxo-4-pyridin-3-ylbutanamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-oxo-4-pyridin-3-ylbutanamide is O=C(CCC(=O)c1cccnc1)NCC1(CO)CCCCC1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-oxo-4-pyridin-3-ylbutanamide?
The InChIKey is GIBXZYTYGCIOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c20-13-17(8-2-1-3-9-17)12-19-16(22)7-6-15(21)14-5-4-10-18-11-14/h4-5,10-11,20H,1-3,6-9,12-13H2,(H,19,22).
What are the key properties of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-oxo-4-pyridin-3-ylbutanamide?
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-oxo-4-pyridin-3-ylbutanamide has a molecular weight of 304.39 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-oxo-4-pyridin-3-ylbutanamide is sourced from PubChem (CID 110631539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).