N-[7-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide

C20H18FN3O2 — CID 67974979

IUPACN-[7-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(CO)n1
InChIInChI=1S/C20H18FN3O2/c1-11-2-5-14(21)7-15(11)17-6-13-9-22-19(24-20(26)12-3-4-12)8-16(13)18(10-25)23-17/h2,5-9,12,25H,3-4,10H2,1H3,(H,22,24,26)
InChIKeyBEFKMUYGGLNGGN-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.59
Rot. Bonds4

About N-[7-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide

N-[7-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 67974979) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-[7-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
PubChem CID67974979
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC NameN-[7-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(CO)n1
InChIInChI=1S/C20H18FN3O2/c1-11-2-5-14(21)7-15(11)17-6-13-9-22-19(24-20(26)12-3-4-12)8-16(13)18(10-25)23-17/h2,5-9,12,25H,3-4,10H2,1H3,(H,22,24,26)
InChIKeyBEFKMUYGGLNGGN-UHFFFAOYSA-N
XLogP3.59
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[7-[5-(1-hydroxyethyl)-2-methylphenyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 57410976
N-[7-[5-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 57410980
N-[7-[4-(hydroxymethyl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 57411093
N-[7-[6-[(1R)-1-hydroxyethyl]-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 57411327
N-[7-[6-[(1S)-1-hydroxyethyl]-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 57411328
7-(Cyclopropanecarboxamido)-3-(5-fluoro-2-methylphenyl)-1-methyl-2,6-naphthyridine 2-oxide
CID 57411677
3-(5-Fluoro-2-methylphenyl)-7-(cyclopropanecarboxamido)-2,6-naphthyridine 2-oxide
CID 67974365
N-(7-(5-fluoro-2-methylpyridin-3-yl)isoquinolin-3-yl)cyclopropanecarboxamide
CID 67974368
N-(7-(5-fluoro-2-methylphenyl)-5-(fluoromethyl)-2,6-naphthyridin-3-yl)cyclopropanecarboxamide
CID 67974549
N-[7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 67976245
N-[7-(5-fluoro-2-methylphenyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 67976745
N-(7-(6-(hydroxymethyl)-4-methylpyridin-3-yl)isoquinolin-3-yl)cyclopropanecarboxamide
CID 68095262

Frequently Asked Questions

What is the IUPAC name of N-[7-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide (CID 67974979) is N-[7-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide is Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(CO)n1.
What is the InChIKey of N-[7-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
The InChIKey is BEFKMUYGGLNGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-11-2-5-14(21)7-15(11)17-6-13-9-22-19(24-20(26)12-3-4-12)8-16(13)18(10-25)23-17/h2,5-9,12,25H,3-4,10H2,1H3,(H,22,24,26).
What are the key properties of N-[7-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
N-[7-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 351.38 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 67974979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).