[4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)methylamino]cyclohexyl]carbamic acid

C17H21FN4O3 — CID 68606024

IUPAC[4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)methylamino]cyclohexyl]carbamic acid
SMILESCn1c(=O)ccc2ncc(F)c(CNC3CCC(NC(=O)O)CC3)c21
InChIInChI=1S/C17H21FN4O3/c1-22-15(23)7-6-14-16(22)12(13(18)9-20-14)8-19-10-2-4-11(5-3-10)21-17(24)25/h6-7,9-11,19,21H,2-5,8H2,1H3,(H,24,25)
InChIKeySLRNFZYJMAOCQJ-UHFFFAOYSA-N
MW348.38 g/mol
LogP1.74
Rot. Bonds4

About [4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)methylamino]cyclohexyl]carbamic acid

[4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)methylamino]cyclohexyl]carbamic acid (PubChem CID 68606024) has the molecular formula C17H21FN4O3 and a molecular weight of 348.38 g/mol. Its IUPAC name is [4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)methylamino]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)methylamino]cyclohexyl]carbamic acid
PubChem CID68606024
Molecular FormulaC17H21FN4O3
Molecular Weight348.38 g/mol
Exact Mass348.16
IUPAC Name[4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)methylamino]cyclohexyl]carbamic acid
SMILESCn1c(=O)ccc2ncc(F)c(CNC3CCC(NC(=O)O)CC3)c21
InChIInChI=1S/C17H21FN4O3/c1-22-15(23)7-6-14-16(22)12(13(18)9-20-14)8-19-10-2-4-11(5-3-10)21-17(24)25/h6-7,9-11,19,21H,2-5,8H2,1H3,(H,24,25)
InChIKeySLRNFZYJMAOCQJ-UHFFFAOYSA-N
XLogP1.74
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)methylamino]cyclohexyl]carbamic acid with MolForge

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Related Compounds

1-[1-[2-(7-Fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methylphenyl)urea
CID 118712939
1-Benzyl-3-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea
CID 118713206
N-{3-[cyclohexyl(methyl)amino]propyl}-5-methyl-2-oxo-1,2-dihydro-1,6-naphthyridine-3-carboxamide
CID 5771312
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carboxamide
CID 6181376
(2E)-3-(2-fluorophenyl)-N-({3-methyl-7-[(2E)-4-methyl-2-pentenoyl]-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl}methyl)acrylamide
CID 26361085
1-[2-(Dimethylamino)ethyl]-6-(pyridin-3-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one;tris(2,2,2-trifluoroacetic acid)
CID 118746994
4-[(4-Amino-1-piperidinyl)methyl]-3,4-difluoro-4,5-dihydro-7H-pyrrolo[3,2,1-de]-1,5-naphthyridin-7-one
CID 23634204
1-(2-(4-((3-fluoro-4-methylbenzyl)amino)piperidin-1-yl)ethyl)-1,7-naphthyridin-2(1H)-one
CID 24866874
(2S)-N-[1-[[5-(4-fluoro-N-methylanilino)-3-pyridinyl]methyl]-6-(4-fluorophenyl)-2-oxo-3-pyridinyl]-2-(methylamino)propanamide
CID 25106648
7-Fluoro-1-[2-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
CID 44194083
1-[2-[4-[(3,4-Difluorophenyl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one
CID 44194084
7-Fluoro-1-[2-[4-[(4-fluorophenyl)methylamino]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
CID 44194472

Frequently Asked Questions

What is the IUPAC name of [4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)methylamino]cyclohexyl]carbamic acid?
The IUPAC name of [4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)methylamino]cyclohexyl]carbamic acid (CID 68606024) is [4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)methylamino]cyclohexyl]carbamic acid.
What is the SMILES notation for [4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)methylamino]cyclohexyl]carbamic acid?
The canonical SMILES for [4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)methylamino]cyclohexyl]carbamic acid is Cn1c(=O)ccc2ncc(F)c(CNC3CCC(NC(=O)O)CC3)c21.
What is the InChIKey of [4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)methylamino]cyclohexyl]carbamic acid?
The InChIKey is SLRNFZYJMAOCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O3/c1-22-15(23)7-6-14-16(22)12(13(18)9-20-14)8-19-10-2-4-11(5-3-10)21-17(24)25/h6-7,9-11,19,21H,2-5,8H2,1H3,(H,24,25).
What are the key properties of [4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)methylamino]cyclohexyl]carbamic acid?
[4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)methylamino]cyclohexyl]carbamic acid has a molecular weight of 348.38 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)methylamino]cyclohexyl]carbamic acid is sourced from PubChem (CID 68606024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).