N-cyclohexyl-2-pyridin-2-ylbutanamide

C15H22N2O — CID 21278990

IUPACN-cyclohexyl-2-pyridin-2-ylbutanamide
SMILESCCC(C(=O)NC1CCCCC1)c1ccccn1
InChIInChI=1S/C15H22N2O/c1-2-13(14-10-6-7-11-16-14)15(18)17-12-8-4-3-5-9-12/h6-7,10-13H,2-5,8-9H2,1H3,(H,17,18)
InChIKeyPARJZMJIQRRGTD-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.02
Rot. Bonds4

About N-cyclohexyl-2-pyridin-2-ylbutanamide

N-cyclohexyl-2-pyridin-2-ylbutanamide (PubChem CID 21278990) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-cyclohexyl-2-pyridin-2-ylbutanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-pyridin-2-ylbutanamide
PubChem CID21278990
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-cyclohexyl-2-pyridin-2-ylbutanamide
SMILESCCC(C(=O)NC1CCCCC1)c1ccccn1
InChIInChI=1S/C15H22N2O/c1-2-13(14-10-6-7-11-16-14)15(18)17-12-8-4-3-5-9-12/h6-7,10-13H,2-5,8-9H2,1H3,(H,17,18)
InChIKeyPARJZMJIQRRGTD-UHFFFAOYSA-N
XLogP3.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 95136390
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CID 29052683
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CID 28647798
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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-pyridin-2-ylbutanamide?
The IUPAC name of N-cyclohexyl-2-pyridin-2-ylbutanamide (CID 21278990) is N-cyclohexyl-2-pyridin-2-ylbutanamide.
What is the SMILES notation for N-cyclohexyl-2-pyridin-2-ylbutanamide?
The canonical SMILES for N-cyclohexyl-2-pyridin-2-ylbutanamide is CCC(C(=O)NC1CCCCC1)c1ccccn1.
What is the InChIKey of N-cyclohexyl-2-pyridin-2-ylbutanamide?
The InChIKey is PARJZMJIQRRGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-13(14-10-6-7-11-16-14)15(18)17-12-8-4-3-5-9-12/h6-7,10-13H,2-5,8-9H2,1H3,(H,17,18).
What are the key properties of N-cyclohexyl-2-pyridin-2-ylbutanamide?
N-cyclohexyl-2-pyridin-2-ylbutanamide has a molecular weight of 246.35 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-pyridin-2-ylbutanamide is sourced from PubChem (CID 21278990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).