N-[[6-(2-methoxyphenyl)-3-pyridinyl]methyl]prop-2-enamide

C16H16N2O2 — CID 172887450

IUPACN-[[6-(2-methoxyphenyl)-3-pyridinyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccc(-c2ccccc2OC)nc1
InChIInChI=1S/C16H16N2O2/c1-3-16(19)18-11-12-8-9-14(17-10-12)13-6-4-5-7-15(13)20-2/h3-10H,1,11H2,2H3,(H,18,19)
InChIKeyOJUGYHVFCMSQDM-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.56
Rot. Bonds5

About N-[[6-(2-methoxyphenyl)-3-pyridinyl]methyl]prop-2-enamide

N-[[6-(2-methoxyphenyl)-3-pyridinyl]methyl]prop-2-enamide (PubChem CID 172887450) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[[6-(2-methoxyphenyl)-3-pyridinyl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[6-(2-methoxyphenyl)-3-pyridinyl]methyl]prop-2-enamide
PubChem CID172887450
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-[[6-(2-methoxyphenyl)-3-pyridinyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccc(-c2ccccc2OC)nc1
InChIInChI=1S/C16H16N2O2/c1-3-16(19)18-11-12-8-9-14(17-10-12)13-6-4-5-7-15(13)20-2/h3-10H,1,11H2,2H3,(H,18,19)
InChIKeyOJUGYHVFCMSQDM-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
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

N-[[6-(1-benzothiophen-3-yl)-3-pyridinyl]methyl]prop-2-enamide
CID 172887459
2-[6-(2-methoxyphenyl)-3-pyridinyl]acetonitrile
CID 117001949
N-[[2-[2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylamino]-2-oxoethyl]phenyl]methyl]prop-2-enamide
CID 166421871
N-[[6-(5-chloro-2-methoxyphenyl)-3-pyridinyl]methyl]acetamide
CID 74243787
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 155557257
1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 30362950
N-[[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]prop-2-enamide
CID 16972275
N-[[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]prop-2-enamide
CID 16972304
N-[(6-phenyl-3-pyridinyl)methyl]acetamide
CID 143102890
methyl N-[4-[(prop-2-enoylamino)methyl]phenyl]carbamate
CID 115357516
N-[[4-(2-methoxyphenyl)phenyl]methyl]propanamide
CID 66848573
2-(4-methoxyphenyl)-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]acetamide
CID 110714393

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-methoxyphenyl)-3-pyridinyl]methyl]prop-2-enamide?
The IUPAC name of N-[[6-(2-methoxyphenyl)-3-pyridinyl]methyl]prop-2-enamide (CID 172887450) is N-[[6-(2-methoxyphenyl)-3-pyridinyl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[6-(2-methoxyphenyl)-3-pyridinyl]methyl]prop-2-enamide?
The canonical SMILES for N-[[6-(2-methoxyphenyl)-3-pyridinyl]methyl]prop-2-enamide is C=CC(=O)NCc1ccc(-c2ccccc2OC)nc1.
What is the InChIKey of N-[[6-(2-methoxyphenyl)-3-pyridinyl]methyl]prop-2-enamide?
The InChIKey is OJUGYHVFCMSQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-3-16(19)18-11-12-8-9-14(17-10-12)13-6-4-5-7-15(13)20-2/h3-10H,1,11H2,2H3,(H,18,19).
What are the key properties of N-[[6-(2-methoxyphenyl)-3-pyridinyl]methyl]prop-2-enamide?
N-[[6-(2-methoxyphenyl)-3-pyridinyl]methyl]prop-2-enamide has a molecular weight of 268.32 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-methoxyphenyl)-3-pyridinyl]methyl]prop-2-enamide is sourced from PubChem (CID 172887450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).