4-(cyclohexylcarbamoylamino)-N-pyridin-2-ylbutanamide

C16H24N4O2 — CID 16614836

IUPAC4-(cyclohexylcarbamoylamino)-N-pyridin-2-ylbutanamide
SMILESO=C(CCCNC(=O)NC1CCCCC1)Nc1ccccn1
InChIInChI=1S/C16H24N4O2/c21-15(20-14-9-4-5-11-17-14)10-6-12-18-16(22)19-13-7-2-1-3-8-13/h4-5,9,11,13H,1-3,6-8,10,12H2,(H,17,20,21)(H2,18,19,22)
InChIKeyVBVGLJWLGXKHCL-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.43
Rot. Bonds6

About 4-(cyclohexylcarbamoylamino)-N-pyridin-2-ylbutanamide

4-(cyclohexylcarbamoylamino)-N-pyridin-2-ylbutanamide (PubChem CID 16614836) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-(cyclohexylcarbamoylamino)-N-pyridin-2-ylbutanamide.

Molecular Properties

Compound Name4-(cyclohexylcarbamoylamino)-N-pyridin-2-ylbutanamide
PubChem CID16614836
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name4-(cyclohexylcarbamoylamino)-N-pyridin-2-ylbutanamide
SMILESO=C(CCCNC(=O)NC1CCCCC1)Nc1ccccn1
InChIInChI=1S/C16H24N4O2/c21-15(20-14-9-4-5-11-17-14)10-6-12-18-16(22)19-13-7-2-1-3-8-13/h4-5,9,11,13H,1-3,6-8,10,12H2,(H,17,20,21)(H2,18,19,22)
InChIKeyVBVGLJWLGXKHCL-UHFFFAOYSA-N
XLogP2.43
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(cyclohexylcarbamoylamino)-N-(6-methyl-2-pyridinyl)butanamide
CID 18146705
4-(cyclohexylcarbamoylamino)-N-[2-(pyrazol-1-ylmethyl)phenyl]butanamide
CID 55934321
1-cyclopentyl-3-(3-pyridin-2-ylpropyl)urea
CID 110661120
N-(1,3-benzothiazol-2-yl)-4-(cyclohexylcarbamoylamino)butanamide
CID 16614965
2-[4-(cyclohexylcarbamoylamino)butanoylamino]-2-phenylacetic acid
CID 119113414
4-(cyclohexylcarbamoylamino)-N-(2-quinolin-8-ylethyl)butanamide
CID 18153096
4-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]butanamide
CID 18152352
benzyl 2-[4-(cyclohexylcarbamoylamino)butanoylamino]acetate
CID 16614928
N-(5-tert-butyl-2-hydroxyphenyl)-4-(cyclohexylcarbamoylamino)butanamide
CID 31031780
4-(cyclohexylcarbamoylamino)-N-[2-(2-methylpropyl)pyrazol-3-yl]butanamide
CID 35447449
4-(cyclohexylcarbamoylamino)-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 16622522
N,N'-dipyridin-2-ylbutanediamide
CID 3684644

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylcarbamoylamino)-N-pyridin-2-ylbutanamide?
The IUPAC name of 4-(cyclohexylcarbamoylamino)-N-pyridin-2-ylbutanamide (CID 16614836) is 4-(cyclohexylcarbamoylamino)-N-pyridin-2-ylbutanamide.
What is the SMILES notation for 4-(cyclohexylcarbamoylamino)-N-pyridin-2-ylbutanamide?
The canonical SMILES for 4-(cyclohexylcarbamoylamino)-N-pyridin-2-ylbutanamide is O=C(CCCNC(=O)NC1CCCCC1)Nc1ccccn1.
What is the InChIKey of 4-(cyclohexylcarbamoylamino)-N-pyridin-2-ylbutanamide?
The InChIKey is VBVGLJWLGXKHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c21-15(20-14-9-4-5-11-17-14)10-6-12-18-16(22)19-13-7-2-1-3-8-13/h4-5,9,11,13H,1-3,6-8,10,12H2,(H,17,20,21)(H2,18,19,22).
What are the key properties of 4-(cyclohexylcarbamoylamino)-N-pyridin-2-ylbutanamide?
4-(cyclohexylcarbamoylamino)-N-pyridin-2-ylbutanamide has a molecular weight of 304.39 g/mol, XLogP of 2.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylcarbamoylamino)-N-pyridin-2-ylbutanamide is sourced from PubChem (CID 16614836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).