4-(3-cyano-4-fluoroanilino)-N,N-diethyl-7-methyl-1,8-naphthyridine-3-carboxamide;hydrochloride

C21H21ClFN5O — CID 146064292

IUPAC4-(3-cyano-4-fluoroanilino)-N,N-diethyl-7-methyl-1,8-naphthyridine-3-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)c(C#N)c1.Cl
InChIInChI=1S/C21H20FN5O.ClH/c1-4-27(5-2)21(28)17-12-24-20-16(8-6-13(3)25-20)19(17)26-15-7-9-18(22)14(10-15)11-23;/h6-10,12H,4-5H2,1-3H3,(H,24,25,26);1H
InChIKeyIQFAWKCDPLQHLI-UHFFFAOYSA-N
MW413.88 g/mol
LogP4.60
Rot. Bonds5

About 4-(3-cyano-4-fluoroanilino)-N,N-diethyl-7-methyl-1,8-naphthyridine-3-carboxamide;hydrochloride

4-(3-cyano-4-fluoroanilino)-N,N-diethyl-7-methyl-1,8-naphthyridine-3-carboxamide;hydrochloride (PubChem CID 146064292) has the molecular formula C21H21ClFN5O and a molecular weight of 413.88 g/mol. Its IUPAC name is 4-(3-cyano-4-fluoroanilino)-N,N-diethyl-7-methyl-1,8-naphthyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(3-cyano-4-fluoroanilino)-N,N-diethyl-7-methyl-1,8-naphthyridine-3-carboxamide;hydrochloride
PubChem CID146064292
Molecular FormulaC21H21ClFN5O
Molecular Weight413.88 g/mol
Exact Mass413.14
IUPAC Name4-(3-cyano-4-fluoroanilino)-N,N-diethyl-7-methyl-1,8-naphthyridine-3-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)c(C#N)c1.Cl
InChIInChI=1S/C21H20FN5O.ClH/c1-4-27(5-2)21(28)17-12-24-20-16(8-6-13(3)25-20)19(17)26-15-7-9-18(22)14(10-15)11-23;/h6-10,12H,4-5H2,1-3H3,(H,24,25,26);1H
InChIKeyIQFAWKCDPLQHLI-UHFFFAOYSA-N
XLogP4.60
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.88
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3-cyano-4-fluoroanilino)-N,N-diethyl-7-methyl-1,8-naphthyridine-3-carboxamide;hydrochloride with MolForge

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Related Compounds

2-fluoro-5-[[7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride
CID 146063790
N,N-diethyl-7-methyl-4-[4-(trifluoromethyl)anilino]-1,8-naphthyridine-3-carboxamide;hydrochloride
CID 146064228
4-(3,4-dimethoxyanilino)-N,N-diethyl-7-methyl-1,8-naphthyridine-3-carboxamide;hydrochloride
CID 146064240
N,N-diethyl-7-methyl-4-(4-propan-2-ylanilino)-1,8-naphthyridine-3-carboxamide;hydrochloride
CID 146064283
2-fluoro-5-[[7-methyl-3-(3-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride
CID 146064161
ethyl 4-(3-fluoro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063486
propyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 50836585
propyl 4-(4-chloroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063644
propan-2-yl 4-(4-cyanoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063553
[4-(4-fluoro-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 146063945
[4-(3,4-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
CID 146064202
4-[[7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile
CID 53132181

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyano-4-fluoroanilino)-N,N-diethyl-7-methyl-1,8-naphthyridine-3-carboxamide;hydrochloride?
The IUPAC name of 4-(3-cyano-4-fluoroanilino)-N,N-diethyl-7-methyl-1,8-naphthyridine-3-carboxamide;hydrochloride (CID 146064292) is 4-(3-cyano-4-fluoroanilino)-N,N-diethyl-7-methyl-1,8-naphthyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 4-(3-cyano-4-fluoroanilino)-N,N-diethyl-7-methyl-1,8-naphthyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 4-(3-cyano-4-fluoroanilino)-N,N-diethyl-7-methyl-1,8-naphthyridine-3-carboxamide;hydrochloride is CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)c(C#N)c1.Cl.
What is the InChIKey of 4-(3-cyano-4-fluoroanilino)-N,N-diethyl-7-methyl-1,8-naphthyridine-3-carboxamide;hydrochloride?
The InChIKey is IQFAWKCDPLQHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O.ClH/c1-4-27(5-2)21(28)17-12-24-20-16(8-6-13(3)25-20)19(17)26-15-7-9-18(22)14(10-15)11-23;/h6-10,12H,4-5H2,1-3H3,(H,24,25,26);1H.
What are the key properties of 4-(3-cyano-4-fluoroanilino)-N,N-diethyl-7-methyl-1,8-naphthyridine-3-carboxamide;hydrochloride?
4-(3-cyano-4-fluoroanilino)-N,N-diethyl-7-methyl-1,8-naphthyridine-3-carboxamide;hydrochloride has a molecular weight of 413.88 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyano-4-fluoroanilino)-N,N-diethyl-7-methyl-1,8-naphthyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 146064292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).