N-(2-phenylethyl)-N'-pyridin-3-ylbutanediamide

C17H19N3O2 — CID 51362474

IUPACN-(2-phenylethyl)-N'-pyridin-3-ylbutanediamide
SMILESO=C(CCC(=O)Nc1cccnc1)NCCc1ccccc1
InChIInChI=1S/C17H19N3O2/c21-16(19-12-10-14-5-2-1-3-6-14)8-9-17(22)20-15-7-4-11-18-13-15/h1-7,11,13H,8-10,12H2,(H,19,21)(H,20,22)
InChIKeyFXXSNRFNRPMAPK-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.16
Rot. Bonds7

About N-(2-phenylethyl)-N'-pyridin-3-ylbutanediamide

N-(2-phenylethyl)-N'-pyridin-3-ylbutanediamide (PubChem CID 51362474) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(2-phenylethyl)-N'-pyridin-3-ylbutanediamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-N'-pyridin-3-ylbutanediamide
PubChem CID51362474
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-(2-phenylethyl)-N'-pyridin-3-ylbutanediamide
SMILESO=C(CCC(=O)Nc1cccnc1)NCCc1ccccc1
InChIInChI=1S/C17H19N3O2/c21-16(19-12-10-14-5-2-1-3-6-14)8-9-17(22)20-15-7-4-11-18-13-15/h1-7,11,13H,8-10,12H2,(H,19,21)(H,20,22)
InChIKeyFXXSNRFNRPMAPK-UHFFFAOYSA-N
XLogP2.16
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylethyl)-4-pyridin-3-ylbutanamide
CID 110410890
N-[4-oxo-4-(pyridin-3-ylamino)butyl]benzamide
CID 39761141
3-acetamido-N-pyridin-3-ylpropanamide
CID 91801519
methyl 4-oxo-4-(2-pyridin-3-ylethylamino)butanoate
CID 115174685
4,4-diphenyl-N-pyridin-3-ylbutanamide
CID 11976417
2-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-N-pyridin-3-ylacetamide
CID 177434462
2-(2-anilino-2-oxoethyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 7574875
3-pyridin-2-yl-N-pyridin-3-ylpropanamide
CID 47468155
5-(4-bromophenyl)-N-pyridin-3-ylpentanamide
CID 166191110
1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea
CID 38157149
N-(3-phenylpropyl)-3-(pyridin-3-ylmethylamino)propanamide
CID 109023651
N-[2-(2-hydroxyphenyl)ethyl]-4-pyridin-3-ylbutanamide
CID 110614904

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-N'-pyridin-3-ylbutanediamide?
The IUPAC name of N-(2-phenylethyl)-N'-pyridin-3-ylbutanediamide (CID 51362474) is N-(2-phenylethyl)-N'-pyridin-3-ylbutanediamide.
What is the SMILES notation for N-(2-phenylethyl)-N'-pyridin-3-ylbutanediamide?
The canonical SMILES for N-(2-phenylethyl)-N'-pyridin-3-ylbutanediamide is O=C(CCC(=O)Nc1cccnc1)NCCc1ccccc1.
What is the InChIKey of N-(2-phenylethyl)-N'-pyridin-3-ylbutanediamide?
The InChIKey is FXXSNRFNRPMAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-16(19-12-10-14-5-2-1-3-6-14)8-9-17(22)20-15-7-4-11-18-13-15/h1-7,11,13H,8-10,12H2,(H,19,21)(H,20,22).
What are the key properties of N-(2-phenylethyl)-N'-pyridin-3-ylbutanediamide?
N-(2-phenylethyl)-N'-pyridin-3-ylbutanediamide has a molecular weight of 297.36 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-N'-pyridin-3-ylbutanediamide is sourced from PubChem (CID 51362474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).