(E)-3-(4-aminophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)prop-2-enamide

C15H15N3O2 — CID 115343196

IUPAC(E)-3-(4-aminophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)prop-2-enamide
SMILESCn1cc(NC(=O)/C=C/c2ccc(N)cc2)ccc1=O
InChIInChI=1S/C15H15N3O2/c1-18-10-13(7-9-15(18)20)17-14(19)8-4-11-2-5-12(16)6-3-11/h2-10H,16H2,1H3,(H,17,19)/b8-4+
InChIKeyCGRQTCSQTSEOHN-XBXARRHUSA-N
MW269.30 g/mol
LogP1.62
Rot. Bonds3

About (E)-3-(4-aminophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)prop-2-enamide

(E)-3-(4-aminophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)prop-2-enamide (PubChem CID 115343196) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)prop-2-enamide
PubChem CID115343196
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name(E)-3-(4-aminophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)prop-2-enamide
SMILESCn1cc(NC(=O)/C=C/c2ccc(N)cc2)ccc1=O
InChIInChI=1S/C15H15N3O2/c1-18-10-13(7-9-15(18)20)17-14(19)8-4-11-2-5-12(16)6-3-11/h2-10H,16H2,1H3,(H,17,19)/b8-4+
InChIKeyCGRQTCSQTSEOHN-XBXARRHUSA-N
XLogP1.62
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.62
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

3-[3,5-bis(trifluoromethyl)phenyl]-N-(1-methyl-6-oxo-3-pyridinyl)prop-2-enamide
CID 71888429
(E)-N-(4-aminophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 28854457
(E)-3-(4-aminophenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)prop-2-enamide
CID 84552139
(E)-3-(4-aminophenyl)-N-(3-bromo-4-methylphenyl)prop-2-enamide
CID 84553975
(E)-3-(4-aminophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 84551872
(E)-3-(4-aminophenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 84553251
(E)-3-(4-aminophenyl)-N-(4-chloro-3-methoxyphenyl)prop-2-enamide
CID 107621799
(E)-3-(4-aminophenyl)prop-2-enehydrazide
CID 79006134
2-[[4-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]benzoyl]amino]acetic acid
CID 84552256
(E)-3-(4-aminophenyl)-N-(1H-indazol-5-yl)prop-2-enamide
CID 115343051
(E)-3-(4-aminophenyl)-N-piperidin-1-ylprop-2-enamide
CID 83021636
methyl (2S)-2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]propanoate
CID 115343095

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)prop-2-enamide (CID 115343196) is (E)-3-(4-aminophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)prop-2-enamide is Cn1cc(NC(=O)/C=C/c2ccc(N)cc2)ccc1=O.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)prop-2-enamide?
The InChIKey is CGRQTCSQTSEOHN-XBXARRHUSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-18-10-13(7-9-15(18)20)17-14(19)8-4-11-2-5-12(16)6-3-11/h2-10H,16H2,1H3,(H,17,19)/b8-4+.
What are the key properties of (E)-3-(4-aminophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)prop-2-enamide?
(E)-3-(4-aminophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)prop-2-enamide has a molecular weight of 269.30 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)prop-2-enamide is sourced from PubChem (CID 115343196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).