N-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide

C16H16N2O2 — CID 154800116

IUPACN-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(OCc2cccnc2)cc1C
InChIInChI=1S/C16H16N2O2/c1-3-16(19)18-15-7-6-14(9-12(15)2)20-11-13-5-4-8-17-10-13/h3-10H,1,11H2,2H3,(H,18,19)
InChIKeyRKSUMHXFGNALJC-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.09
Rot. Bonds5

About N-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide

N-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide (PubChem CID 154800116) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide
PubChem CID154800116
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(OCc2cccnc2)cc1C
InChIInChI=1S/C16H16N2O2/c1-3-16(19)18-15-7-6-14(9-12(15)2)20-11-13-5-4-8-17-10-13/h3-10H,1,11H2,2H3,(H,18,19)
InChIKeyRKSUMHXFGNALJC-UHFFFAOYSA-N
XLogP3.09
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]-3-pyridin-4-ylprop-2-enamide
CID 166196615
(E)-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]-3-(1,3-thiazol-5-yl)prop-2-enamide
CID 166232048
methyl N-[2-methyl-4-[(6-methyl-3-pyridinyl)methoxy]phenyl]carbamate
CID 139811023
methyl 2-[3-methyl-4-(pyridin-3-ylmethylamino)phenoxy]acetate
CID 126832263
methyl 5-(pyridin-3-ylmethoxy)-1-benzothiophene-2-carboxylate
CID 54467787
3-[(4-chloro-3,5-dimethylphenoxy)methyl]pyridine
CID 112828338
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
1-[3-(pyridin-3-ylmethoxy)phenyl]ethanone
CID 24704115
pyridin-3-ylmethyl 2-[(4-methoxy-2-methylphenyl)carbamothioyl]-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 163460836
methyl 2-phenyl-4-(pyridin-3-ylmethoxy)benzoate
CID 10805572
1-[2-(dimethylamino)ethyl]-3-(2-methyl-4-propoxyphenyl)-1-(pyridin-3-ylmethyl)urea
CID 87035630
N-(2,4-dimethoxyphenyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 39709892

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide?
The IUPAC name of N-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide (CID 154800116) is N-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for N-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide?
The canonical SMILES for N-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(OCc2cccnc2)cc1C.
What is the InChIKey of N-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide?
The InChIKey is RKSUMHXFGNALJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-3-16(19)18-15-7-6-14(9-12(15)2)20-11-13-5-4-8-17-10-13/h3-10H,1,11H2,2H3,(H,18,19).
What are the key properties of N-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide?
N-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide has a molecular weight of 268.32 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 154800116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).