N-pentan-2-yl-4-(2H-pyridin-1-yl)butanamide

C14H24N2O — CID 175905387

IUPACN-pentan-2-yl-4-(2H-pyridin-1-yl)butanamide
SMILESCCCC(C)NC(=O)CCCN1C=CC=CC1
InChIInChI=1S/C14H24N2O/c1-3-8-13(2)15-14(17)9-7-12-16-10-5-4-6-11-16/h4-6,10,13H,3,7-9,11-12H2,1-2H3,(H,15,17)
InChIKeyWFNALPLHLUWHAE-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.46
Rot. Bonds7

About N-pentan-2-yl-4-(2H-pyridin-1-yl)butanamide

N-pentan-2-yl-4-(2H-pyridin-1-yl)butanamide (PubChem CID 175905387) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-pentan-2-yl-4-(2H-pyridin-1-yl)butanamide.

Molecular Properties

Compound NameN-pentan-2-yl-4-(2H-pyridin-1-yl)butanamide
PubChem CID175905387
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-pentan-2-yl-4-(2H-pyridin-1-yl)butanamide
SMILESCCCC(C)NC(=O)CCCN1C=CC=CC1
InChIInChI=1S/C14H24N2O/c1-3-8-13(2)15-14(17)9-7-12-16-10-5-4-6-11-16/h4-6,10,13H,3,7-9,11-12H2,1-2H3,(H,15,17)
InChIKeyWFNALPLHLUWHAE-UHFFFAOYSA-N
XLogP2.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-4-(2H-pyridin-1-yl)butanamide?
The IUPAC name of N-pentan-2-yl-4-(2H-pyridin-1-yl)butanamide (CID 175905387) is N-pentan-2-yl-4-(2H-pyridin-1-yl)butanamide.
What is the SMILES notation for N-pentan-2-yl-4-(2H-pyridin-1-yl)butanamide?
The canonical SMILES for N-pentan-2-yl-4-(2H-pyridin-1-yl)butanamide is CCCC(C)NC(=O)CCCN1C=CC=CC1.
What is the InChIKey of N-pentan-2-yl-4-(2H-pyridin-1-yl)butanamide?
The InChIKey is WFNALPLHLUWHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-8-13(2)15-14(17)9-7-12-16-10-5-4-6-11-16/h4-6,10,13H,3,7-9,11-12H2,1-2H3,(H,15,17).
What are the key properties of N-pentan-2-yl-4-(2H-pyridin-1-yl)butanamide?
N-pentan-2-yl-4-(2H-pyridin-1-yl)butanamide has a molecular weight of 236.36 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yl-4-(2H-pyridin-1-yl)butanamide is sourced from PubChem (CID 175905387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).