N-(8-methoxy-2,7-naphthyridin-3-yl)cyclopropanecarboxamide

C13H13N3O2 — CID 178122855

IUPACN-(8-methoxy-2,7-naphthyridin-3-yl)cyclopropanecarboxamide
SMILESCOc1nccc2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C13H13N3O2/c1-18-13-10-7-15-11(6-9(10)4-5-14-13)16-12(17)8-2-3-8/h4-8H,2-3H2,1H3,(H,15,16,17)
InChIKeyRFHNRWFHKYXHQG-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.99
Rot. Bonds3

About N-(8-methoxy-2,7-naphthyridin-3-yl)cyclopropanecarboxamide

N-(8-methoxy-2,7-naphthyridin-3-yl)cyclopropanecarboxamide (PubChem CID 178122855) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-(8-methoxy-2,7-naphthyridin-3-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(8-methoxy-2,7-naphthyridin-3-yl)cyclopropanecarboxamide
PubChem CID178122855
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-(8-methoxy-2,7-naphthyridin-3-yl)cyclopropanecarboxamide
SMILESCOc1nccc2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C13H13N3O2/c1-18-13-10-7-15-11(6-9(10)4-5-14-13)16-12(17)8-2-3-8/h4-8H,2-3H2,1H3,(H,15,16,17)
InChIKeyRFHNRWFHKYXHQG-UHFFFAOYSA-N
XLogP1.99
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(8-methoxy-2,7-naphthyridin-3-yl)cyclopropanecarboxamide?
The IUPAC name of N-(8-methoxy-2,7-naphthyridin-3-yl)cyclopropanecarboxamide (CID 178122855) is N-(8-methoxy-2,7-naphthyridin-3-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(8-methoxy-2,7-naphthyridin-3-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(8-methoxy-2,7-naphthyridin-3-yl)cyclopropanecarboxamide is COc1nccc2cc(NC(=O)C3CC3)ncc12.
What is the InChIKey of N-(8-methoxy-2,7-naphthyridin-3-yl)cyclopropanecarboxamide?
The InChIKey is RFHNRWFHKYXHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-18-13-10-7-15-11(6-9(10)4-5-14-13)16-12(17)8-2-3-8/h4-8H,2-3H2,1H3,(H,15,16,17).
What are the key properties of N-(8-methoxy-2,7-naphthyridin-3-yl)cyclopropanecarboxamide?
N-(8-methoxy-2,7-naphthyridin-3-yl)cyclopropanecarboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methoxy-2,7-naphthyridin-3-yl)cyclopropanecarboxamide is sourced from PubChem (CID 178122855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).