(E)-3-(3-aminophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]prop-2-enamide

C16H17N3O2 — CID 115343636

IUPAC(E)-3-(3-aminophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]prop-2-enamide
SMILESCOc1ccc(CNC(=O)/C=C/c2cccc(N)c2)cn1
InChIInChI=1S/C16H17N3O2/c1-21-16-8-6-13(11-19-16)10-18-15(20)7-5-12-3-2-4-14(17)9-12/h2-9,11H,10,17H2,1H3,(H,18,20)/b7-5+
InChIKeyOJIYBDBYMVZVNO-FNORWQNLSA-N
MW283.33 g/mol
LogP2.00
Rot. Bonds5

About (E)-3-(3-aminophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]prop-2-enamide

(E)-3-(3-aminophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]prop-2-enamide (PubChem CID 115343636) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is (E)-3-(3-aminophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-aminophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]prop-2-enamide
PubChem CID115343636
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name(E)-3-(3-aminophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]prop-2-enamide
SMILESCOc1ccc(CNC(=O)/C=C/c2cccc(N)c2)cn1
InChIInChI=1S/C16H17N3O2/c1-21-16-8-6-13(11-19-16)10-18-15(20)7-5-12-3-2-4-14(17)9-12/h2-9,11H,10,17H2,1H3,(H,18,20)/b7-5+
InChIKeyOJIYBDBYMVZVNO-FNORWQNLSA-N
XLogP2.00
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-aminophenyl)-N-[(6-methyl-3-pyridinyl)methyl]prop-2-enamide
CID 115344051
(E)-N-[(6-methoxy-3-pyridinyl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 51305933
(E)-3-(3-aminophenyl)-N-[(4-hydroxyphenyl)methyl]prop-2-enamide
CID 114332120
4-[(E)-3-[(6-methoxy-3-pyridinyl)methylamino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 51076627
(E)-3-(3-aminophenyl)-N-[(4-bromophenyl)methyl]prop-2-enamide
CID 115342686
N-[(6-methoxy-3-pyridinyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51306230
(E)-3-(3-aminophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide
CID 115342604
(E)-3-(3-aminophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-enamide
CID 115343692
(E)-3-(3-aminophenyl)-N-ethylprop-2-enamide
CID 39238221
(E)-3-(3-aminophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]prop-2-enamide
CID 106371187
(E)-3-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 27396984
(E)-3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 7772448

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-aminophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-aminophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]prop-2-enamide (CID 115343636) is (E)-3-(3-aminophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-aminophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-aminophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]prop-2-enamide is COc1ccc(CNC(=O)/C=C/c2cccc(N)c2)cn1.
What is the InChIKey of (E)-3-(3-aminophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]prop-2-enamide?
The InChIKey is OJIYBDBYMVZVNO-FNORWQNLSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-21-16-8-6-13(11-19-16)10-18-15(20)7-5-12-3-2-4-14(17)9-12/h2-9,11H,10,17H2,1H3,(H,18,20)/b7-5+.
What are the key properties of (E)-3-(3-aminophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]prop-2-enamide?
(E)-3-(3-aminophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]prop-2-enamide has a molecular weight of 283.33 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-aminophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]prop-2-enamide is sourced from PubChem (CID 115343636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).