(E)-2-amino-3-(4-fluorophenyl)-3-(methylamino)-N-(6-methyl-2-pyridinyl)prop-2-enamide

C16H17FN4O — CID 144906094

IUPAC(E)-2-amino-3-(4-fluorophenyl)-3-(methylamino)-N-(6-methyl-2-pyridinyl)prop-2-enamide
SMILESCN/C(=C(/N)C(=O)Nc1cccc(C)n1)c1ccc(F)cc1
InChIInChI=1S/C16H17FN4O/c1-10-4-3-5-13(20-10)21-16(22)14(18)15(19-2)11-6-8-12(17)9-7-11/h3-9,19H,18H2,1-2H3,(H,20,21,22)/b15-14+
InChIKeyRZTOTDQHCGXAGS-CCEZHUSRSA-N
MW300.34 g/mol
LogP2.01
Rot. Bonds4

About (E)-2-amino-3-(4-fluorophenyl)-3-(methylamino)-N-(6-methyl-2-pyridinyl)prop-2-enamide

(E)-2-amino-3-(4-fluorophenyl)-3-(methylamino)-N-(6-methyl-2-pyridinyl)prop-2-enamide (PubChem CID 144906094) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is (E)-2-amino-3-(4-fluorophenyl)-3-(methylamino)-N-(6-methyl-2-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-amino-3-(4-fluorophenyl)-3-(methylamino)-N-(6-methyl-2-pyridinyl)prop-2-enamide
PubChem CID144906094
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC Name(E)-2-amino-3-(4-fluorophenyl)-3-(methylamino)-N-(6-methyl-2-pyridinyl)prop-2-enamide
SMILESCN/C(=C(/N)C(=O)Nc1cccc(C)n1)c1ccc(F)cc1
InChIInChI=1S/C16H17FN4O/c1-10-4-3-5-13(20-10)21-16(22)14(18)15(19-2)11-6-8-12(17)9-7-11/h3-9,19H,18H2,1-2H3,(H,20,21,22)/b15-14+
InChIKeyRZTOTDQHCGXAGS-CCEZHUSRSA-N
XLogP2.01
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 12042267
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CID 44266873
5-(2,4-Difluorophenyl)-1-(2,6-difluorophenyl)-7-(methylamino)-1,6-naphthyridin-2-one
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Frequently Asked Questions

What is the IUPAC name of (E)-2-amino-3-(4-fluorophenyl)-3-(methylamino)-N-(6-methyl-2-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-2-amino-3-(4-fluorophenyl)-3-(methylamino)-N-(6-methyl-2-pyridinyl)prop-2-enamide (CID 144906094) is (E)-2-amino-3-(4-fluorophenyl)-3-(methylamino)-N-(6-methyl-2-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-2-amino-3-(4-fluorophenyl)-3-(methylamino)-N-(6-methyl-2-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-2-amino-3-(4-fluorophenyl)-3-(methylamino)-N-(6-methyl-2-pyridinyl)prop-2-enamide is CN/C(=C(/N)C(=O)Nc1cccc(C)n1)c1ccc(F)cc1.
What is the InChIKey of (E)-2-amino-3-(4-fluorophenyl)-3-(methylamino)-N-(6-methyl-2-pyridinyl)prop-2-enamide?
The InChIKey is RZTOTDQHCGXAGS-CCEZHUSRSA-N. The full InChI is InChI=1S/C16H17FN4O/c1-10-4-3-5-13(20-10)21-16(22)14(18)15(19-2)11-6-8-12(17)9-7-11/h3-9,19H,18H2,1-2H3,(H,20,21,22)/b15-14+.
What are the key properties of (E)-2-amino-3-(4-fluorophenyl)-3-(methylamino)-N-(6-methyl-2-pyridinyl)prop-2-enamide?
(E)-2-amino-3-(4-fluorophenyl)-3-(methylamino)-N-(6-methyl-2-pyridinyl)prop-2-enamide has a molecular weight of 300.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-amino-3-(4-fluorophenyl)-3-(methylamino)-N-(6-methyl-2-pyridinyl)prop-2-enamide is sourced from PubChem (CID 144906094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).