4-(cyclohexylcarbamoylamino)-N-(6-methyl-2-pyridinyl)butanamide

C17H26N4O2 — CID 18146705

IUPAC4-(cyclohexylcarbamoylamino)-N-(6-methyl-2-pyridinyl)butanamide
SMILESCc1cccc(NC(=O)CCCNC(=O)NC2CCCCC2)n1
InChIInChI=1S/C17H26N4O2/c1-13-7-5-10-15(19-13)21-16(22)11-6-12-18-17(23)20-14-8-3-2-4-9-14/h5,7,10,14H,2-4,6,8-9,11-12H2,1H3,(H2,18,20,23)(H,19,21,22)
InChIKeyCSPBGJDIVMGJPY-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.74
Rot. Bonds6

About 4-(cyclohexylcarbamoylamino)-N-(6-methyl-2-pyridinyl)butanamide

4-(cyclohexylcarbamoylamino)-N-(6-methyl-2-pyridinyl)butanamide (PubChem CID 18146705) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-(cyclohexylcarbamoylamino)-N-(6-methyl-2-pyridinyl)butanamide.

Molecular Properties

Compound Name4-(cyclohexylcarbamoylamino)-N-(6-methyl-2-pyridinyl)butanamide
PubChem CID18146705
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name4-(cyclohexylcarbamoylamino)-N-(6-methyl-2-pyridinyl)butanamide
SMILESCc1cccc(NC(=O)CCCNC(=O)NC2CCCCC2)n1
InChIInChI=1S/C17H26N4O2/c1-13-7-5-10-15(19-13)21-16(22)11-6-12-18-17(23)20-14-8-3-2-4-9-14/h5,7,10,14H,2-4,6,8-9,11-12H2,1H3,(H2,18,20,23)(H,19,21,22)
InChIKeyCSPBGJDIVMGJPY-UHFFFAOYSA-N
XLogP2.74
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.74
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-pyridin-2-ylbutanamide
CID 16614836
4-(cyclohexylcarbamoylamino)-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 16622522
N-(1,3-benzothiazol-2-yl)-4-(cyclohexylcarbamoylamino)butanamide
CID 16614965
4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide
CID 18152915
4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide
CID 86921824
4-(cyclohexylcarbamoylamino)-N-[2-(pyrazol-1-ylmethyl)phenyl]butanamide
CID 55934321
1-cyclohexyl-3-[6-(cyclohexylcarbamoylamino)-2-pyridinyl]urea
CID 4149033
N-(5-tert-butyl-2-hydroxyphenyl)-4-(cyclohexylcarbamoylamino)butanamide
CID 31031780
2-[6-(cyclohexylcarbamoylamino)hexanoylamino]-N,6-dimethylbenzamide
CID 86955767
N-[[4-(butanoylamino)phenyl]methyl]-4-(cyclohexylcarbamoylamino)butanamide
CID 60515741
4-(cyclohexylcarbamoylamino)-N-(2-quinolin-8-ylethyl)butanamide
CID 18153096
3-[6-(cyclohexylcarbamoylamino)hexanoylamino]benzoic acid
CID 119219607

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylcarbamoylamino)-N-(6-methyl-2-pyridinyl)butanamide?
The IUPAC name of 4-(cyclohexylcarbamoylamino)-N-(6-methyl-2-pyridinyl)butanamide (CID 18146705) is 4-(cyclohexylcarbamoylamino)-N-(6-methyl-2-pyridinyl)butanamide.
What is the SMILES notation for 4-(cyclohexylcarbamoylamino)-N-(6-methyl-2-pyridinyl)butanamide?
The canonical SMILES for 4-(cyclohexylcarbamoylamino)-N-(6-methyl-2-pyridinyl)butanamide is Cc1cccc(NC(=O)CCCNC(=O)NC2CCCCC2)n1.
What is the InChIKey of 4-(cyclohexylcarbamoylamino)-N-(6-methyl-2-pyridinyl)butanamide?
The InChIKey is CSPBGJDIVMGJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-13-7-5-10-15(19-13)21-16(22)11-6-12-18-17(23)20-14-8-3-2-4-9-14/h5,7,10,14H,2-4,6,8-9,11-12H2,1H3,(H2,18,20,23)(H,19,21,22).
What are the key properties of 4-(cyclohexylcarbamoylamino)-N-(6-methyl-2-pyridinyl)butanamide?
4-(cyclohexylcarbamoylamino)-N-(6-methyl-2-pyridinyl)butanamide has a molecular weight of 318.42 g/mol, XLogP of 2.74, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylcarbamoylamino)-N-(6-methyl-2-pyridinyl)butanamide is sourced from PubChem (CID 18146705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).