N-[3-(2-butyl-4-methyl-1,2-dihydropyridin-5-yl)-2-methoxy-1,6-naphthyridin-7-yl]-2-fluorocyclopropane-1-carboxamide

C23H27FN4O2 — CID 171555073

IUPACN-[3-(2-butyl-4-methyl-1,2-dihydropyridin-5-yl)-2-methoxy-1,6-naphthyridin-7-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCCCCC1C=C(C)C(c2cc3cnc(NC(=O)C4CC4F)cc3nc2OC)=CN1
InChIInChI=1S/C23H27FN4O2/c1-4-5-6-15-7-13(2)18(12-25-15)16-8-14-11-26-21(10-20(14)27-23(16)30-3)28-22(29)17-9-19(17)24/h7-8,10-12,15,17,19,25H,4-6,9H2,1-3H3,(H,26,28,29)
InChIKeyHATRAZAYKRBFAN-UHFFFAOYSA-N
MW410.49 g/mol
LogP4.38
Rot. Bonds7

About N-[3-(2-butyl-4-methyl-1,2-dihydropyridin-5-yl)-2-methoxy-1,6-naphthyridin-7-yl]-2-fluorocyclopropane-1-carboxamide

N-[3-(2-butyl-4-methyl-1,2-dihydropyridin-5-yl)-2-methoxy-1,6-naphthyridin-7-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 171555073) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is N-[3-(2-butyl-4-methyl-1,2-dihydropyridin-5-yl)-2-methoxy-1,6-naphthyridin-7-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(2-butyl-4-methyl-1,2-dihydropyridin-5-yl)-2-methoxy-1,6-naphthyridin-7-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID171555073
Molecular FormulaC23H27FN4O2
Molecular Weight410.49 g/mol
Exact Mass410.21
IUPAC NameN-[3-(2-butyl-4-methyl-1,2-dihydropyridin-5-yl)-2-methoxy-1,6-naphthyridin-7-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCCCCC1C=C(C)C(c2cc3cnc(NC(=O)C4CC4F)cc3nc2OC)=CN1
InChIInChI=1S/C23H27FN4O2/c1-4-5-6-15-7-13(2)18(12-25-15)16-8-14-11-26-21(10-20(14)27-23(16)30-3)28-22(29)17-9-19(17)24/h7-8,10-12,15,17,19,25H,4-6,9H2,1-3H3,(H,26,28,29)
InChIKeyHATRAZAYKRBFAN-UHFFFAOYSA-N
XLogP4.38
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-cyano-7-[2-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]-4-methyl-1,2-dihydropyridin-5-yl]isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 171555725
N-[3-[2-[(E)-1,1-dihydroxybut-2-enyl]-4-methyl-1,2-dihydropyridin-5-yl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]-2-fluorocyclopropane-1-carboxamide
CID 171556471
2-fluoro-N-[2-methoxy-3-[(2E,4Z)-4-methyl-6-methylidene-7-oxodeca-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 171555884
cis-(1S,2S)-2-fluoro-N-[3-[6-[(1S)-1-hydroxybutyl]-4-methyl-3-pyridinyl]-2-methyl-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 171555797
N-(7-chloro-2,6-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide
CID 123638176
cis-(1S,2S)-2-fluoro-N-[3-[6-[(1R)-1-hydroxybutyl]-4-methyl-3-pyridinyl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 171555547
2-fluoro-N-[2-(4-methoxy-6-methylpyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide
CID 163252731
N-[2-(4-ethyl-6-methoxy-2-methylpyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide
CID 170385168
cis-(1S,2S)-N-[2-(4,6-dimethoxy-2-oxo-1H-pyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide
CID 163252441
N-[8-amino-6-(6-methoxy-2-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 135342379
N-[8-chloro-6-(6-methoxy-2-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 135342431
cis-(1S,2S)-2-fluoro-N-[2-(2-methoxyphenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]cyclopropane-1-carboxamide
CID 163252292

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-butyl-4-methyl-1,2-dihydropyridin-5-yl)-2-methoxy-1,6-naphthyridin-7-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of N-[3-(2-butyl-4-methyl-1,2-dihydropyridin-5-yl)-2-methoxy-1,6-naphthyridin-7-yl]-2-fluorocyclopropane-1-carboxamide (CID 171555073) is N-[3-(2-butyl-4-methyl-1,2-dihydropyridin-5-yl)-2-methoxy-1,6-naphthyridin-7-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(2-butyl-4-methyl-1,2-dihydropyridin-5-yl)-2-methoxy-1,6-naphthyridin-7-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(2-butyl-4-methyl-1,2-dihydropyridin-5-yl)-2-methoxy-1,6-naphthyridin-7-yl]-2-fluorocyclopropane-1-carboxamide is CCCCC1C=C(C)C(c2cc3cnc(NC(=O)C4CC4F)cc3nc2OC)=CN1.
What is the InChIKey of N-[3-(2-butyl-4-methyl-1,2-dihydropyridin-5-yl)-2-methoxy-1,6-naphthyridin-7-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is HATRAZAYKRBFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O2/c1-4-5-6-15-7-13(2)18(12-25-15)16-8-14-11-26-21(10-20(14)27-23(16)30-3)28-22(29)17-9-19(17)24/h7-8,10-12,15,17,19,25H,4-6,9H2,1-3H3,(H,26,28,29).
What are the key properties of N-[3-(2-butyl-4-methyl-1,2-dihydropyridin-5-yl)-2-methoxy-1,6-naphthyridin-7-yl]-2-fluorocyclopropane-1-carboxamide?
N-[3-(2-butyl-4-methyl-1,2-dihydropyridin-5-yl)-2-methoxy-1,6-naphthyridin-7-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 410.49 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-butyl-4-methyl-1,2-dihydropyridin-5-yl)-2-methoxy-1,6-naphthyridin-7-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 171555073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).