N-[2-(2-hydroxyphenyl)ethyl]-4-pyridin-3-ylbutanamide

C17H20N2O2 — CID 110614904

IUPACN-[2-(2-hydroxyphenyl)ethyl]-4-pyridin-3-ylbutanamide
SMILESO=C(CCCc1cccnc1)NCCc1ccccc1O
InChIInChI=1S/C17H20N2O2/c20-16-8-2-1-7-15(16)10-12-19-17(21)9-3-5-14-6-4-11-18-13-14/h1-2,4,6-8,11,13,20H,3,5,9-10,12H2,(H,19,21)
InChIKeyQWKHHCGWCDCGLL-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.47
Rot. Bonds7

About N-[2-(2-hydroxyphenyl)ethyl]-4-pyridin-3-ylbutanamide

N-[2-(2-hydroxyphenyl)ethyl]-4-pyridin-3-ylbutanamide (PubChem CID 110614904) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[2-(2-hydroxyphenyl)ethyl]-4-pyridin-3-ylbutanamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyphenyl)ethyl]-4-pyridin-3-ylbutanamide
PubChem CID110614904
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[2-(2-hydroxyphenyl)ethyl]-4-pyridin-3-ylbutanamide
SMILESO=C(CCCc1cccnc1)NCCc1ccccc1O
InChIInChI=1S/C17H20N2O2/c20-16-8-2-1-7-15(16)10-12-19-17(21)9-3-5-14-6-4-11-18-13-14/h1-2,4,6-8,11,13,20H,3,5,9-10,12H2,(H,19,21)
InChIKeyQWKHHCGWCDCGLL-UHFFFAOYSA-N
XLogP2.47
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylethyl)-4-pyridin-3-ylbutanamide
CID 110410890
N-[2-(3-chlorophenyl)ethyl]-4-pyridin-3-ylbutanamide
CID 110416616
7-amino-N-(2-pyridin-3-ylethyl)heptanamide;dihydrochloride
CID 119842426
N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-pyridin-3-ylbutanamide
CID 110606610
N-[3-(dimethylamino)propyl]-4-pyridin-3-ylbutanamide
CID 110408294
2-(2-aminophenyl)-N-(2-pyridin-3-ylethyl)acetamide
CID 60895368
N-(4-methoxybutyl)-4-pyridin-3-ylbutanamide
CID 110610244
methyl 4-oxo-4-(2-pyridin-3-ylethylamino)butanoate
CID 115174685
N-[2-(2-hydroxyphenyl)ethyl]pyridine-3-carboxamide
CID 67172955
N-[2-(2,4-dichlorophenyl)ethyl]-3-pyridin-3-ylpropanamide
CID 9269490
N-[2-(2-hydroxyphenyl)ethyl]-4-phenoxybutanamide
CID 110605250
N-(3-phenylpropyl)-3-(pyridin-3-ylmethylamino)propanamide
CID 109023651

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyphenyl)ethyl]-4-pyridin-3-ylbutanamide?
The IUPAC name of N-[2-(2-hydroxyphenyl)ethyl]-4-pyridin-3-ylbutanamide (CID 110614904) is N-[2-(2-hydroxyphenyl)ethyl]-4-pyridin-3-ylbutanamide.
What is the SMILES notation for N-[2-(2-hydroxyphenyl)ethyl]-4-pyridin-3-ylbutanamide?
The canonical SMILES for N-[2-(2-hydroxyphenyl)ethyl]-4-pyridin-3-ylbutanamide is O=C(CCCc1cccnc1)NCCc1ccccc1O.
What is the InChIKey of N-[2-(2-hydroxyphenyl)ethyl]-4-pyridin-3-ylbutanamide?
The InChIKey is QWKHHCGWCDCGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c20-16-8-2-1-7-15(16)10-12-19-17(21)9-3-5-14-6-4-11-18-13-14/h1-2,4,6-8,11,13,20H,3,5,9-10,12H2,(H,19,21).
What are the key properties of N-[2-(2-hydroxyphenyl)ethyl]-4-pyridin-3-ylbutanamide?
N-[2-(2-hydroxyphenyl)ethyl]-4-pyridin-3-ylbutanamide has a molecular weight of 284.36 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyphenyl)ethyl]-4-pyridin-3-ylbutanamide is sourced from PubChem (CID 110614904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).