N-(1-benzyl-2-pyridinylidene)-3-(3-methoxyphenyl)propanamide

C22H22N2O2 — CID 43035260

IUPACN-(1-benzyl-2-pyridinylidene)-3-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)/N=c2\ccccn2Cc2ccccc2)c1
InChIInChI=1S/C22H22N2O2/c1-26-20-11-7-10-18(16-20)13-14-22(25)23-21-12-5-6-15-24(21)17-19-8-3-2-4-9-19/h2-12,15-16H,13-14,17H2,1H3/b23-21+
InChIKeyIXHNRRFROWXCDX-XTQSDGFTSA-N
MW346.43 g/mol
LogP3.61
Rot. Bonds6

About N-(1-benzyl-2-pyridinylidene)-3-(3-methoxyphenyl)propanamide

N-(1-benzyl-2-pyridinylidene)-3-(3-methoxyphenyl)propanamide (PubChem CID 43035260) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(1-benzyl-2-pyridinylidene)-3-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(1-benzyl-2-pyridinylidene)-3-(3-methoxyphenyl)propanamide
PubChem CID43035260
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC NameN-(1-benzyl-2-pyridinylidene)-3-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)/N=c2\ccccn2Cc2ccccc2)c1
InChIInChI=1S/C22H22N2O2/c1-26-20-11-7-10-18(16-20)13-14-22(25)23-21-12-5-6-15-24(21)17-19-8-3-2-4-9-19/h2-12,15-16H,13-14,17H2,1H3/b23-21+
InChIKeyIXHNRRFROWXCDX-XTQSDGFTSA-N
XLogP3.61
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzyl-2-pyridinylidene)-2-(4-methoxyphenyl)acetamide
CID 60605870
3-(3-methoxyphenyl)-1-(1-methylpyrrol-3-yl)propan-1-one
CID 95456132
N-(5-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide
CID 41133758
N-[2-(3-methoxyphenyl)ethyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 78879278
5-(3-methoxyphenyl)-2-oxopentanoic acid
CID 57090432
N-(1-benzyl-2-pyridinylidene)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 43039303
ethane;1-(3-methoxyphenyl)-4-methylpentan-3-one
CID 142910057
1-(2,6-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-one
CID 24725838
2,6-dichloro-4-[3-(3-methoxyphenyl)propanoyl]benzoic acid
CID 167567818
3-(3-methoxyphenyl)-N-(3-phenylpropyl)propanamide
CID 127121905
4-benzyl-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 108900940
[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]-phenylmethanone
CID 110602055

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-pyridinylidene)-3-(3-methoxyphenyl)propanamide?
The IUPAC name of N-(1-benzyl-2-pyridinylidene)-3-(3-methoxyphenyl)propanamide (CID 43035260) is N-(1-benzyl-2-pyridinylidene)-3-(3-methoxyphenyl)propanamide.
What is the SMILES notation for N-(1-benzyl-2-pyridinylidene)-3-(3-methoxyphenyl)propanamide?
The canonical SMILES for N-(1-benzyl-2-pyridinylidene)-3-(3-methoxyphenyl)propanamide is COc1cccc(CCC(=O)/N=c2\ccccn2Cc2ccccc2)c1.
What is the InChIKey of N-(1-benzyl-2-pyridinylidene)-3-(3-methoxyphenyl)propanamide?
The InChIKey is IXHNRRFROWXCDX-XTQSDGFTSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-26-20-11-7-10-18(16-20)13-14-22(25)23-21-12-5-6-15-24(21)17-19-8-3-2-4-9-19/h2-12,15-16H,13-14,17H2,1H3/b23-21+.
What are the key properties of N-(1-benzyl-2-pyridinylidene)-3-(3-methoxyphenyl)propanamide?
N-(1-benzyl-2-pyridinylidene)-3-(3-methoxyphenyl)propanamide has a molecular weight of 346.43 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-pyridinylidene)-3-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 43035260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).