(Z)-2-amino-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-hydrazinylprop-2-enamide

C20H22N6O2 — CID 143662424

IUPAC(Z)-2-amino-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-hydrazinylprop-2-enamide
SMILESCc1cc2c(cn1)cc(-c1cc(NC(=O)/C(N)=C/NN)ccc1C)c(=O)n2C
InChIInChI=1S/C20H22N6O2/c1-11-4-5-14(25-19(27)17(21)10-24-22)8-15(11)16-7-13-9-23-12(2)6-18(13)26(3)20(16)28/h4-10,24H,21-22H2,1-3H3,(H,25,27)/b17-10-
InChIKeyNPCFDCRBBJLWQC-YVLHZVERSA-N
MW378.44 g/mol
LogP1.42
Rot. Bonds4

About (Z)-2-amino-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-hydrazinylprop-2-enamide

(Z)-2-amino-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-hydrazinylprop-2-enamide (PubChem CID 143662424) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is (Z)-2-amino-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-hydrazinylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-amino-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-hydrazinylprop-2-enamide
PubChem CID143662424
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name(Z)-2-amino-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-hydrazinylprop-2-enamide
SMILESCc1cc2c(cn1)cc(-c1cc(NC(=O)/C(N)=C/NN)ccc1C)c(=O)n2C
InChIInChI=1S/C20H22N6O2/c1-11-4-5-14(25-19(27)17(21)10-24-22)8-15(11)16-7-13-9-23-12(2)6-18(13)26(3)20(16)28/h4-10,24H,21-22H2,1-3H3,(H,25,27)/b17-10-
InChIKeyNPCFDCRBBJLWQC-YVLHZVERSA-N
XLogP1.42
TPSA128.06 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-hydrazinylprop-2-enamide?
The IUPAC name of (Z)-2-amino-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-hydrazinylprop-2-enamide (CID 143662424) is (Z)-2-amino-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-hydrazinylprop-2-enamide.
What is the SMILES notation for (Z)-2-amino-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-hydrazinylprop-2-enamide?
The canonical SMILES for (Z)-2-amino-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-hydrazinylprop-2-enamide is Cc1cc2c(cn1)cc(-c1cc(NC(=O)/C(N)=C/NN)ccc1C)c(=O)n2C.
What is the InChIKey of (Z)-2-amino-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-hydrazinylprop-2-enamide?
The InChIKey is NPCFDCRBBJLWQC-YVLHZVERSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-11-4-5-14(25-19(27)17(21)10-24-22)8-15(11)16-7-13-9-23-12(2)6-18(13)26(3)20(16)28/h4-10,24H,21-22H2,1-3H3,(H,25,27)/b17-10-.
What are the key properties of (Z)-2-amino-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-hydrazinylprop-2-enamide?
(Z)-2-amino-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-hydrazinylprop-2-enamide has a molecular weight of 378.44 g/mol, XLogP of 1.42, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-hydrazinylprop-2-enamide is sourced from PubChem (CID 143662424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).