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

C17H19ClN2O — CID 110416616

IUPACN-[2-(3-chlorophenyl)ethyl]-4-pyridin-3-ylbutanamide
SMILESO=C(CCCc1cccnc1)NCCc1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2O/c18-16-7-1-4-14(12-16)9-11-20-17(21)8-2-5-15-6-3-10-19-13-15/h1,3-4,6-7,10,12-13H,2,5,8-9,11H2,(H,20,21)
InChIKeyOUVHRVCYRWKYPI-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.42
Rot. Bonds7

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

N-[2-(3-chlorophenyl)ethyl]-4-pyridin-3-ylbutanamide (PubChem CID 110416616) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-4-pyridin-3-ylbutanamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-4-pyridin-3-ylbutanamide
PubChem CID110416616
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-4-pyridin-3-ylbutanamide
SMILESO=C(CCCc1cccnc1)NCCc1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2O/c18-16-7-1-4-14(12-16)9-11-20-17(21)8-2-5-15-6-3-10-19-13-15/h1,3-4,6-7,10,12-13H,2,5,8-9,11H2,(H,20,21)
InChIKeyOUVHRVCYRWKYPI-UHFFFAOYSA-N
XLogP3.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-phenylethyl)-4-pyridin-3-ylbutanamide
CID 110410890
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
N-[2-(2-hydroxyphenyl)ethyl]-4-pyridin-3-ylbutanamide
CID 110614904
N-[2-(2,4-dichlorophenyl)ethyl]-3-pyridin-3-ylpropanamide
CID 9269490
6-[2-(3-chlorophenyl)ethylamino]-6-oxohexanoic acid
CID 43579976
N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-pyridin-3-ylbutanamide
CID 110606610
(3S)-3-(3-chlorophenyl)-3-phenyl-N-(2-pyridin-3-ylethyl)propanamide
CID 97283539
N-(4-methoxybutyl)-4-pyridin-3-ylbutanamide
CID 110610244
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
7-amino-N-(2-pyridin-3-ylethyl)heptanamide;dihydrochloride
CID 119842426
N-[3-(3-chlorophenyl)propyl]pentanamide
CID 10562858
N-[3-(dimethylamino)propyl]-4-pyridin-3-ylbutanamide
CID 110408294

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-pyridin-3-ylbutanamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-pyridin-3-ylbutanamide (CID 110416616) is N-[2-(3-chlorophenyl)ethyl]-4-pyridin-3-ylbutanamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-4-pyridin-3-ylbutanamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-4-pyridin-3-ylbutanamide is O=C(CCCc1cccnc1)NCCc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-4-pyridin-3-ylbutanamide?
The InChIKey is OUVHRVCYRWKYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c18-16-7-1-4-14(12-16)9-11-20-17(21)8-2-5-15-6-3-10-19-13-15/h1,3-4,6-7,10,12-13H,2,5,8-9,11H2,(H,20,21).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-4-pyridin-3-ylbutanamide?
N-[2-(3-chlorophenyl)ethyl]-4-pyridin-3-ylbutanamide has a molecular weight of 302.81 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-4-pyridin-3-ylbutanamide is sourced from PubChem (CID 110416616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).