[4-(4-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(3-methylpiperidin-1-yl)methanone

C22H23FN4O — CID 53132281

IUPAC[4-(4-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1ccc2c(Nc3ccc(F)cc3)c(C(=O)N3CCCC(C)C3)cnc2n1
InChIInChI=1S/C22H23FN4O/c1-14-4-3-11-27(13-14)22(28)19-12-24-21-18(10-5-15(2)25-21)20(19)26-17-8-6-16(23)7-9-17/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,24,25,26)
InChIKeyQZHLAVJFLBCKFF-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.69
Rot. Bonds3

About [4-(4-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(3-methylpiperidin-1-yl)methanone

[4-(4-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 53132281) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is [4-(4-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID53132281
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name[4-(4-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1ccc2c(Nc3ccc(F)cc3)c(C(=O)N3CCCC(C)C3)cnc2n1
InChIInChI=1S/C22H23FN4O/c1-14-4-3-11-27(13-14)22(28)19-12-24-21-18(10-5-15(2)25-21)20(19)26-17-8-6-16(23)7-9-17/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,24,25,26)
InChIKeyQZHLAVJFLBCKFF-UHFFFAOYSA-N
XLogP4.69
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 95092536
2-fluoro-5-[[7-methyl-3-(3-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride
CID 146064161
[4-(3-ethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 95092576
[4-(3-ethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-(3-methylpiperidin-1-yl)methanone;hydrochloride
CID 146064141
ethyl 3-[[7-methyl-3-[(3R)-3-methylpiperidine-1-carbonyl]-1,8-naphthyridin-4-yl]amino]benzoate
CID 95092578
N-[4-[[7-methyl-3-(4-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]phenyl]acetamide
CID 53132327
[4-(3,4-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
CID 146064202
[4-(4-methoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
CID 146064190
[4-(3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063793
4-[[7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile
CID 53132181
[4-(4-ethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
CID 146064188
4-[[3-(azepane-1-carbonyl)-7-methyl-1,8-naphthyridin-4-yl]amino]benzamide;hydrochloride
CID 146063892

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-(4-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(3-methylpiperidin-1-yl)methanone (CID 53132281) is [4-(4-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(4-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(4-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(3-methylpiperidin-1-yl)methanone is Cc1ccc2c(Nc3ccc(F)cc3)c(C(=O)N3CCCC(C)C3)cnc2n1.
What is the InChIKey of [4-(4-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is QZHLAVJFLBCKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-14-4-3-11-27(13-14)22(28)19-12-24-21-18(10-5-15(2)25-21)20(19)26-17-8-6-16(23)7-9-17/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,24,25,26).
What are the key properties of [4-(4-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(3-methylpiperidin-1-yl)methanone?
[4-(4-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 378.45 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 53132281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).