5-chloro-N-[(4-fluorophenyl)methyl]-8-hydroxy-2-(methylaminomethyl)-1,6-naphthyridine-7-carboxamide

C18H16ClFN4O2 — CID 23652117

IUPAC5-chloro-N-[(4-fluorophenyl)methyl]-8-hydroxy-2-(methylaminomethyl)-1,6-naphthyridine-7-carboxamide
SMILESCNCc1ccc2c(Cl)nc(C(=O)NCc3ccc(F)cc3)c(O)c2n1
InChIInChI=1S/C18H16ClFN4O2/c1-21-9-12-6-7-13-14(23-12)16(25)15(24-17(13)19)18(26)22-8-10-2-4-11(20)5-3-10/h2-7,21,25H,8-9H2,1H3,(H,22,26)
InChIKeyVHXYPMPQMJSFQK-UHFFFAOYSA-N
MW374.80 g/mol
LogP2.78
Rot. Bonds5

About 5-chloro-N-[(4-fluorophenyl)methyl]-8-hydroxy-2-(methylaminomethyl)-1,6-naphthyridine-7-carboxamide

5-chloro-N-[(4-fluorophenyl)methyl]-8-hydroxy-2-(methylaminomethyl)-1,6-naphthyridine-7-carboxamide (PubChem CID 23652117) has the molecular formula C18H16ClFN4O2 and a molecular weight of 374.80 g/mol. Its IUPAC name is 5-chloro-N-[(4-fluorophenyl)methyl]-8-hydroxy-2-(methylaminomethyl)-1,6-naphthyridine-7-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(4-fluorophenyl)methyl]-8-hydroxy-2-(methylaminomethyl)-1,6-naphthyridine-7-carboxamide
PubChem CID23652117
Molecular FormulaC18H16ClFN4O2
Molecular Weight374.80 g/mol
Exact Mass374.09
IUPAC Name5-chloro-N-[(4-fluorophenyl)methyl]-8-hydroxy-2-(methylaminomethyl)-1,6-naphthyridine-7-carboxamide
SMILESCNCc1ccc2c(Cl)nc(C(=O)NCc3ccc(F)cc3)c(O)c2n1
InChIInChI=1S/C18H16ClFN4O2/c1-21-9-12-6-7-13-14(23-12)16(25)15(24-17(13)19)18(26)22-8-10-2-4-11(20)5-3-10/h2-7,21,25H,8-9H2,1H3,(H,22,26)
InChIKeyVHXYPMPQMJSFQK-UHFFFAOYSA-N
XLogP2.78
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.80
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-chloro-N-[(4-fluorophenyl)methyl]-8-hydroxy-2-(methylaminomethyl)-1,6-naphthyridine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridine-5-carboxylate
CID 141443978
5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 86280638
N-[(4-fluorophenyl)methyl]-8-hydroxy-5-(4-methylpiperazin-1-yl)-1,6-naphthyridine-7-carboxamide
CID 15958274
5-[(2R)-1-carbamoyl-2-methylpyrrolidin-1-ium-1-yl]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 90938906
N-[(4-fluorophenyl)methyl]-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide
CID 3813359
5-[2-(dimethylamino)-2-oxoethoxy]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 22346292
2-[[[2-(dimethylamino)acetyl]amino]methyl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
CID 135601685
4-cyano-N-[(4-fluorophenyl)methyl]-3-hydroxypyridine-2-carboxamide
CID 11149929
2-(2-aminopropan-2-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide;N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-[2-(methylamino)propan-2-yl]-6-oxopyrimidine-4-carboxamide;methane
CID 158326909
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229
2-[2-(diethylamino)propan-2-yl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
CID 135598635

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-fluorophenyl)methyl]-8-hydroxy-2-(methylaminomethyl)-1,6-naphthyridine-7-carboxamide?
The IUPAC name of 5-chloro-N-[(4-fluorophenyl)methyl]-8-hydroxy-2-(methylaminomethyl)-1,6-naphthyridine-7-carboxamide (CID 23652117) is 5-chloro-N-[(4-fluorophenyl)methyl]-8-hydroxy-2-(methylaminomethyl)-1,6-naphthyridine-7-carboxamide.
What is the SMILES notation for 5-chloro-N-[(4-fluorophenyl)methyl]-8-hydroxy-2-(methylaminomethyl)-1,6-naphthyridine-7-carboxamide?
The canonical SMILES for 5-chloro-N-[(4-fluorophenyl)methyl]-8-hydroxy-2-(methylaminomethyl)-1,6-naphthyridine-7-carboxamide is CNCc1ccc2c(Cl)nc(C(=O)NCc3ccc(F)cc3)c(O)c2n1.
What is the InChIKey of 5-chloro-N-[(4-fluorophenyl)methyl]-8-hydroxy-2-(methylaminomethyl)-1,6-naphthyridine-7-carboxamide?
The InChIKey is VHXYPMPQMJSFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN4O2/c1-21-9-12-6-7-13-14(23-12)16(25)15(24-17(13)19)18(26)22-8-10-2-4-11(20)5-3-10/h2-7,21,25H,8-9H2,1H3,(H,22,26).
What are the key properties of 5-chloro-N-[(4-fluorophenyl)methyl]-8-hydroxy-2-(methylaminomethyl)-1,6-naphthyridine-7-carboxamide?
5-chloro-N-[(4-fluorophenyl)methyl]-8-hydroxy-2-(methylaminomethyl)-1,6-naphthyridine-7-carboxamide has a molecular weight of 374.80 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-fluorophenyl)methyl]-8-hydroxy-2-(methylaminomethyl)-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 23652117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).