N-[5-[2-[4-(fluoromethoxy)phenyl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

C22H19FN4O2 — CID 170677930

IUPACN-[5-[2-[4-(fluoromethoxy)phenyl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCNc1ncc(C#Cc2ccc(OCF)cc2)c2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C22H19FN4O2/c1-24-21-19-12-25-20(27-22(28)15-6-7-15)10-18(19)16(11-26-21)5-2-14-3-8-17(9-4-14)29-13-23/h3-4,8-12,15H,6-7,13H2,1H3,(H,24,26)(H,25,27,28)
InChIKeyGGHVXXCSGLWEIX-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.73
Rot. Bonds5

About N-[5-[2-[4-(fluoromethoxy)phenyl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

N-[5-[2-[4-(fluoromethoxy)phenyl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 170677930) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is N-[5-[2-[4-(fluoromethoxy)phenyl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[2-[4-(fluoromethoxy)phenyl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
PubChem CID170677930
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC NameN-[5-[2-[4-(fluoromethoxy)phenyl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCNc1ncc(C#Cc2ccc(OCF)cc2)c2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C22H19FN4O2/c1-24-21-19-12-25-20(27-22(28)15-6-7-15)10-18(19)16(11-26-21)5-2-14-3-8-17(9-4-14)29-13-23/h3-4,8-12,15H,6-7,13H2,1H3,(H,24,26)(H,25,27,28)
InChIKeyGGHVXXCSGLWEIX-UHFFFAOYSA-N
XLogP3.73
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[5-[2-[5-(difluoromethoxy)-2-pyridinyl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170678144
N-[5-[2-[2-(difluoromethyl)-4-pyridinyl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170677660
N-[5-[2-(2,2-dideuterio-1,3-benzodioxol-5-yl)ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626562
N-[5-[2-[5-(difluoromethyl)-2-pyridinyl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170677537
N-[8-(methylamino)-5-[2-[4-(6-oxopyridazin-1-yl)phenyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170677868
N-[8-(methylamino)-5-[2-(trimethyl-λ4-sulfanyl)ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 174184953
N-[5-[2-[(2S)-2-(hydroxymethyl)-3,4-dihydro-2H-chromen-6-yl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170677568
N-[5-[2-(3-cyclopropylbenzimidazol-5-yl)ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170678036
N-[5-[2-[(2S)-2-[(R)-fluoro(iodo)methyl]-3,4-dihydro-2H-chromen-6-yl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 174183988
N-[5-[2-[5-(3-fluoroazetidin-1-yl)-2-pyridinyl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 178121927
N-[8-(methylamino)-5-[2-[5-(1,2,4-triazol-4-ylmethyl)-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 178121846
N-[5-[2-[1-(difluoromethyl)-2-methylimidazol-4-yl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170677987

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[4-(fluoromethoxy)phenyl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[2-[4-(fluoromethoxy)phenyl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (CID 170677930) is N-[5-[2-[4-(fluoromethoxy)phenyl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[2-[4-(fluoromethoxy)phenyl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[2-[4-(fluoromethoxy)phenyl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is CNc1ncc(C#Cc2ccc(OCF)cc2)c2cc(NC(=O)C3CC3)ncc12.
What is the InChIKey of N-[5-[2-[4-(fluoromethoxy)phenyl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The InChIKey is GGHVXXCSGLWEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2/c1-24-21-19-12-25-20(27-22(28)15-6-7-15)10-18(19)16(11-26-21)5-2-14-3-8-17(9-4-14)29-13-23/h3-4,8-12,15H,6-7,13H2,1H3,(H,24,26)(H,25,27,28).
What are the key properties of N-[5-[2-[4-(fluoromethoxy)phenyl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
N-[5-[2-[4-(fluoromethoxy)phenyl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 390.42 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[4-(fluoromethoxy)phenyl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 170677930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).