1-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carboxamide

C19H17N3O3 — CID 135476859

IUPAC1-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carboxamide
SMILESCc1cc(C)n(/N=C\c2c(O)ccc3ccccc23)c(=O)c1C(N)=O
InChIInChI=1S/C19H17N3O3/c1-11-9-12(2)22(19(25)17(11)18(20)24)21-10-15-14-6-4-3-5-13(14)7-8-16(15)23/h3-10,23H,1-2H3,(H2,20,24)/b21-10-
InChIKeyLQPFHENLTRTCEW-FBHDLOMBSA-N
MW335.36 g/mol
LogP2.31
Rot. Bonds3

About 1-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carboxamide

1-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carboxamide (PubChem CID 135476859) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 1-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carboxamide
PubChem CID135476859
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name1-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carboxamide
SMILESCc1cc(C)n(/N=C\c2c(O)ccc3ccccc23)c(=O)c1C(N)=O
InChIInChI=1S/C19H17N3O3/c1-11-9-12(2)22(19(25)17(11)18(20)24)21-10-15-14-6-4-3-5-13(14)7-8-16(15)23/h3-10,23H,1-2H3,(H2,20,24)/b21-10-
InChIKeyLQPFHENLTRTCEW-FBHDLOMBSA-N
XLogP2.31
TPSA97.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carboxamide (CID 135476859) is 1-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carboxamide is Cc1cc(C)n(/N=C\c2c(O)ccc3ccccc23)c(=O)c1C(N)=O.
What is the InChIKey of 1-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carboxamide?
The InChIKey is LQPFHENLTRTCEW-FBHDLOMBSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-11-9-12(2)22(19(25)17(11)18(20)24)21-10-15-14-6-4-3-5-13(14)7-8-16(15)23/h3-10,23H,1-2H3,(H2,20,24)/b21-10-.
What are the key properties of 1-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carboxamide?
1-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 135476859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).