7-(furan-2-ylmethyl)-3-pyridin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid

C19H17N3O3 — CID 97463656

IUPAC7-(furan-2-ylmethyl)-3-pyridin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
SMILESO=C(O)c1c(-c2ccncc2)ncc2c1CCN(Cc1ccco1)C2
InChIInChI=1S/C19H17N3O3/c23-19(24)17-16-5-8-22(12-15-2-1-9-25-15)11-14(16)10-21-18(17)13-3-6-20-7-4-13/h1-4,6-7,9-10H,5,8,11-12H2,(H,23,24)
InChIKeyYVGAWKVOJIBZFO-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.99
Rot. Bonds4

About 7-(furan-2-ylmethyl)-3-pyridin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid

7-(furan-2-ylmethyl)-3-pyridin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid (PubChem CID 97463656) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 7-(furan-2-ylmethyl)-3-pyridin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid.

Molecular Properties

Compound Name7-(furan-2-ylmethyl)-3-pyridin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
PubChem CID97463656
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name7-(furan-2-ylmethyl)-3-pyridin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
SMILESO=C(O)c1c(-c2ccncc2)ncc2c1CCN(Cc1ccco1)C2
InChIInChI=1S/C19H17N3O3/c23-19(24)17-16-5-8-22(12-15-2-1-9-25-15)11-14(16)10-21-18(17)13-3-6-20-7-4-13/h1-4,6-7,9-10H,5,8,11-12H2,(H,23,24)
InChIKeyYVGAWKVOJIBZFO-UHFFFAOYSA-N
XLogP2.99
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-ylmethyl)-3-pyridin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The IUPAC name of 7-(furan-2-ylmethyl)-3-pyridin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid (CID 97463656) is 7-(furan-2-ylmethyl)-3-pyridin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid.
What is the SMILES notation for 7-(furan-2-ylmethyl)-3-pyridin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The canonical SMILES for 7-(furan-2-ylmethyl)-3-pyridin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid is O=C(O)c1c(-c2ccncc2)ncc2c1CCN(Cc1ccco1)C2.
What is the InChIKey of 7-(furan-2-ylmethyl)-3-pyridin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The InChIKey is YVGAWKVOJIBZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c23-19(24)17-16-5-8-22(12-15-2-1-9-25-15)11-14(16)10-21-18(17)13-3-6-20-7-4-13/h1-4,6-7,9-10H,5,8,11-12H2,(H,23,24).
What are the key properties of 7-(furan-2-ylmethyl)-3-pyridin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
7-(furan-2-ylmethyl)-3-pyridin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid has a molecular weight of 335.36 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-ylmethyl)-3-pyridin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid is sourced from PubChem (CID 97463656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).