N-(4-phenyl-2-pyridinyl)-N-propylbutanamide

C18H22N2O — CID 162410319

IUPACN-(4-phenyl-2-pyridinyl)-N-propylbutanamide
SMILESCCCC(=O)N(CCC)c1cc(-c2ccccc2)ccn1
InChIInChI=1S/C18H22N2O/c1-3-8-18(21)20(13-4-2)17-14-16(11-12-19-17)15-9-6-5-7-10-15/h5-7,9-12,14H,3-4,8,13H2,1-2H3
InChIKeyVJAQHUAQNPXHLQ-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.29
Rot. Bonds6

About N-(4-phenyl-2-pyridinyl)-N-propylbutanamide

N-(4-phenyl-2-pyridinyl)-N-propylbutanamide (PubChem CID 162410319) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(4-phenyl-2-pyridinyl)-N-propylbutanamide.

Molecular Properties

Compound NameN-(4-phenyl-2-pyridinyl)-N-propylbutanamide
PubChem CID162410319
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-(4-phenyl-2-pyridinyl)-N-propylbutanamide
SMILESCCCC(=O)N(CCC)c1cc(-c2ccccc2)ccn1
InChIInChI=1S/C18H22N2O/c1-3-8-18(21)20(13-4-2)17-14-16(11-12-19-17)15-9-6-5-7-10-15/h5-7,9-12,14H,3-4,8,13H2,1-2H3
InChIKeyVJAQHUAQNPXHLQ-UHFFFAOYSA-N
XLogP4.29
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenyl-2-pyridinyl)-N-propylbutanamide?
The IUPAC name of N-(4-phenyl-2-pyridinyl)-N-propylbutanamide (CID 162410319) is N-(4-phenyl-2-pyridinyl)-N-propylbutanamide.
What is the SMILES notation for N-(4-phenyl-2-pyridinyl)-N-propylbutanamide?
The canonical SMILES for N-(4-phenyl-2-pyridinyl)-N-propylbutanamide is CCCC(=O)N(CCC)c1cc(-c2ccccc2)ccn1.
What is the InChIKey of N-(4-phenyl-2-pyridinyl)-N-propylbutanamide?
The InChIKey is VJAQHUAQNPXHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-3-8-18(21)20(13-4-2)17-14-16(11-12-19-17)15-9-6-5-7-10-15/h5-7,9-12,14H,3-4,8,13H2,1-2H3.
What are the key properties of N-(4-phenyl-2-pyridinyl)-N-propylbutanamide?
N-(4-phenyl-2-pyridinyl)-N-propylbutanamide has a molecular weight of 282.39 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyl-2-pyridinyl)-N-propylbutanamide is sourced from PubChem (CID 162410319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).