N-(2-phenylethyl)-4-pyridin-3-ylbutanamide

C17H20N2O — CID 110410890

IUPACN-(2-phenylethyl)-4-pyridin-3-ylbutanamide
SMILESO=C(CCCc1cccnc1)NCCc1ccccc1
InChIInChI=1S/C17H20N2O/c20-17(10-4-8-16-9-5-12-18-14-16)19-13-11-15-6-2-1-3-7-15/h1-3,5-7,9,12,14H,4,8,10-11,13H2,(H,19,20)
InChIKeyPWPKJCZCTBOIKU-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.76
Rot. Bonds7

About N-(2-phenylethyl)-4-pyridin-3-ylbutanamide

N-(2-phenylethyl)-4-pyridin-3-ylbutanamide (PubChem CID 110410890) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(2-phenylethyl)-4-pyridin-3-ylbutanamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-4-pyridin-3-ylbutanamide
PubChem CID110410890
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-(2-phenylethyl)-4-pyridin-3-ylbutanamide
SMILESO=C(CCCc1cccnc1)NCCc1ccccc1
InChIInChI=1S/C17H20N2O/c20-17(10-4-8-16-9-5-12-18-14-16)19-13-11-15-6-2-1-3-7-15/h1-3,5-7,9,12,14H,4,8,10-11,13H2,(H,19,20)
InChIKeyPWPKJCZCTBOIKU-UHFFFAOYSA-N
XLogP2.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-hydroxyphenyl)ethyl]-4-pyridin-3-ylbutanamide
CID 110614904
N-[2-(3-chlorophenyl)ethyl]-4-pyridin-3-ylbutanamide
CID 110416616
7-amino-N-(2-pyridin-3-ylethyl)heptanamide;dihydrochloride
CID 119842426
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
1-phenyl-7-pyridin-3-ylheptan-4-one
CID 12701571
N-[3-(dimethylamino)propyl]-4-pyridin-3-ylbutanamide
CID 110408294
N-(3-phenylpropyl)-3-(pyridin-3-ylmethylamino)propanamide
CID 109023651
N-(2-phenylethyl)-N'-pyridin-3-ylbutanediamide
CID 51362474
N-(4-methoxybutyl)-4-pyridin-3-ylbutanamide
CID 110610244
N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-pyridin-3-ylbutanamide
CID 110606610
methyl 4-oxo-4-(2-pyridin-3-ylethylamino)butanoate
CID 115174685
4-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]butanamide
CID 91813375

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-4-pyridin-3-ylbutanamide?
The IUPAC name of N-(2-phenylethyl)-4-pyridin-3-ylbutanamide (CID 110410890) is N-(2-phenylethyl)-4-pyridin-3-ylbutanamide.
What is the SMILES notation for N-(2-phenylethyl)-4-pyridin-3-ylbutanamide?
The canonical SMILES for N-(2-phenylethyl)-4-pyridin-3-ylbutanamide is O=C(CCCc1cccnc1)NCCc1ccccc1.
What is the InChIKey of N-(2-phenylethyl)-4-pyridin-3-ylbutanamide?
The InChIKey is PWPKJCZCTBOIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c20-17(10-4-8-16-9-5-12-18-14-16)19-13-11-15-6-2-1-3-7-15/h1-3,5-7,9,12,14H,4,8,10-11,13H2,(H,19,20).
What are the key properties of N-(2-phenylethyl)-4-pyridin-3-ylbutanamide?
N-(2-phenylethyl)-4-pyridin-3-ylbutanamide has a molecular weight of 268.36 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-4-pyridin-3-ylbutanamide is sourced from PubChem (CID 110410890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).