N-[4-hydroxy-3-(1-methyl-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl)phenyl]prop-2-enamide

C19H19N3O3 — CID 166412636

IUPACN-[4-hydroxy-3-(1-methyl-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(O)c(C(=O)N2CCc3ccncc3C2C)c1
InChIInChI=1S/C19H19N3O3/c1-3-18(24)21-14-4-5-17(23)15(10-14)19(25)22-9-7-13-6-8-20-11-16(13)12(22)2/h3-6,8,10-12,23H,1,7,9H2,2H3,(H,21,24)
InChIKeyZCDWLZZDCDGNSR-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.67
Rot. Bonds3

About N-[4-hydroxy-3-(1-methyl-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl)phenyl]prop-2-enamide

N-[4-hydroxy-3-(1-methyl-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl)phenyl]prop-2-enamide (PubChem CID 166412636) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[4-hydroxy-3-(1-methyl-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-hydroxy-3-(1-methyl-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl)phenyl]prop-2-enamide
PubChem CID166412636
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[4-hydroxy-3-(1-methyl-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(O)c(C(=O)N2CCc3ccncc3C2C)c1
InChIInChI=1S/C19H19N3O3/c1-3-18(24)21-14-4-5-17(23)15(10-14)19(25)22-9-7-13-6-8-20-11-16(13)12(22)2/h3-6,8,10-12,23H,1,7,9H2,2H3,(H,21,24)
InChIKeyZCDWLZZDCDGNSR-UHFFFAOYSA-N
XLogP2.67
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-3-(1-methyl-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl)phenyl]prop-2-enamide?
The IUPAC name of N-[4-hydroxy-3-(1-methyl-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl)phenyl]prop-2-enamide (CID 166412636) is N-[4-hydroxy-3-(1-methyl-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl)phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-hydroxy-3-(1-methyl-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl)phenyl]prop-2-enamide?
The canonical SMILES for N-[4-hydroxy-3-(1-methyl-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl)phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(O)c(C(=O)N2CCc3ccncc3C2C)c1.
What is the InChIKey of N-[4-hydroxy-3-(1-methyl-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl)phenyl]prop-2-enamide?
The InChIKey is ZCDWLZZDCDGNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-3-18(24)21-14-4-5-17(23)15(10-14)19(25)22-9-7-13-6-8-20-11-16(13)12(22)2/h3-6,8,10-12,23H,1,7,9H2,2H3,(H,21,24).
What are the key properties of N-[4-hydroxy-3-(1-methyl-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl)phenyl]prop-2-enamide?
N-[4-hydroxy-3-(1-methyl-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl)phenyl]prop-2-enamide has a molecular weight of 337.38 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-3-(1-methyl-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl)phenyl]prop-2-enamide is sourced from PubChem (CID 166412636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).