(Z)-3-(3-amino-2-cyano-4-methanimidoylphenyl)-2-fluoro-N-(6-methoxy-2,4-dimethyl-3-pyridinyl)prop-2-enamide

C19H18FN5O2 — CID 176936917

IUPAC(Z)-3-(3-amino-2-cyano-4-methanimidoylphenyl)-2-fluoro-N-(6-methoxy-2,4-dimethyl-3-pyridinyl)prop-2-enamide
SMILES[H]/N=C/c1ccc(/C=C(\F)C(=O)Nc2c(C)cc(OC)nc2C)c(C#N)c1N
InChIInChI=1S/C19H18FN5O2/c1-10-6-16(27-3)24-11(2)18(10)25-19(26)15(20)7-12-4-5-13(8-21)17(23)14(12)9-22/h4-8,21H,23H2,1-3H3,(H,25,26)/b15-7-,21-8+
InChIKeyTZXOVVDPKRCAPT-RPEGWETDSA-N
MW367.38 g/mol
LogP3.11
Rot. Bonds5

About (Z)-3-(3-amino-2-cyano-4-methanimidoylphenyl)-2-fluoro-N-(6-methoxy-2,4-dimethyl-3-pyridinyl)prop-2-enamide

(Z)-3-(3-amino-2-cyano-4-methanimidoylphenyl)-2-fluoro-N-(6-methoxy-2,4-dimethyl-3-pyridinyl)prop-2-enamide (PubChem CID 176936917) has the molecular formula C19H18FN5O2 and a molecular weight of 367.38 g/mol. Its IUPAC name is (Z)-3-(3-amino-2-cyano-4-methanimidoylphenyl)-2-fluoro-N-(6-methoxy-2,4-dimethyl-3-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3-amino-2-cyano-4-methanimidoylphenyl)-2-fluoro-N-(6-methoxy-2,4-dimethyl-3-pyridinyl)prop-2-enamide
PubChem CID176936917
Molecular FormulaC19H18FN5O2
Molecular Weight367.38 g/mol
Exact Mass367.14
IUPAC Name(Z)-3-(3-amino-2-cyano-4-methanimidoylphenyl)-2-fluoro-N-(6-methoxy-2,4-dimethyl-3-pyridinyl)prop-2-enamide
SMILES[H]/N=C/c1ccc(/C=C(\F)C(=O)Nc2c(C)cc(OC)nc2C)c(C#N)c1N
InChIInChI=1S/C19H18FN5O2/c1-10-6-16(27-3)24-11(2)18(10)25-19(26)15(20)7-12-4-5-13(8-21)17(23)14(12)9-22/h4-8,21H,23H2,1-3H3,(H,25,26)/b15-7-,21-8+
InChIKeyTZXOVVDPKRCAPT-RPEGWETDSA-N
XLogP3.11
TPSA124.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-amino-2-cyano-4-methanimidoylphenyl)-2-fluoro-N-(6-methoxy-2,4-dimethyl-3-pyridinyl)prop-2-enamide?
The IUPAC name of (Z)-3-(3-amino-2-cyano-4-methanimidoylphenyl)-2-fluoro-N-(6-methoxy-2,4-dimethyl-3-pyridinyl)prop-2-enamide (CID 176936917) is (Z)-3-(3-amino-2-cyano-4-methanimidoylphenyl)-2-fluoro-N-(6-methoxy-2,4-dimethyl-3-pyridinyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(3-amino-2-cyano-4-methanimidoylphenyl)-2-fluoro-N-(6-methoxy-2,4-dimethyl-3-pyridinyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(3-amino-2-cyano-4-methanimidoylphenyl)-2-fluoro-N-(6-methoxy-2,4-dimethyl-3-pyridinyl)prop-2-enamide is [H]/N=C/c1ccc(/C=C(\F)C(=O)Nc2c(C)cc(OC)nc2C)c(C#N)c1N.
What is the InChIKey of (Z)-3-(3-amino-2-cyano-4-methanimidoylphenyl)-2-fluoro-N-(6-methoxy-2,4-dimethyl-3-pyridinyl)prop-2-enamide?
The InChIKey is TZXOVVDPKRCAPT-RPEGWETDSA-N. The full InChI is InChI=1S/C19H18FN5O2/c1-10-6-16(27-3)24-11(2)18(10)25-19(26)15(20)7-12-4-5-13(8-21)17(23)14(12)9-22/h4-8,21H,23H2,1-3H3,(H,25,26)/b15-7-,21-8+.
What are the key properties of (Z)-3-(3-amino-2-cyano-4-methanimidoylphenyl)-2-fluoro-N-(6-methoxy-2,4-dimethyl-3-pyridinyl)prop-2-enamide?
(Z)-3-(3-amino-2-cyano-4-methanimidoylphenyl)-2-fluoro-N-(6-methoxy-2,4-dimethyl-3-pyridinyl)prop-2-enamide has a molecular weight of 367.38 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-amino-2-cyano-4-methanimidoylphenyl)-2-fluoro-N-(6-methoxy-2,4-dimethyl-3-pyridinyl)prop-2-enamide is sourced from PubChem (CID 176936917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).