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

C18H16N4O3 — CID 97389657

IUPAC7-(furan-2-ylmethyl)-3-pyrimidin-5-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
SMILESO=C(O)c1c(-c2cncnc2)ncc2c1CCN(Cc1ccco1)C2
InChIInChI=1S/C18H16N4O3/c23-18(24)16-15-3-4-22(10-14-2-1-5-25-14)9-13(15)8-21-17(16)12-6-19-11-20-7-12/h1-2,5-8,11H,3-4,9-10H2,(H,23,24)
InChIKeyDFKPLFYIHJDUDZ-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.39
Rot. Bonds4

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

7-(furan-2-ylmethyl)-3-pyrimidin-5-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid (PubChem CID 97389657) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 7-(furan-2-ylmethyl)-3-pyrimidin-5-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid.

Molecular Properties

Compound Name7-(furan-2-ylmethyl)-3-pyrimidin-5-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
PubChem CID97389657
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name7-(furan-2-ylmethyl)-3-pyrimidin-5-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
SMILESO=C(O)c1c(-c2cncnc2)ncc2c1CCN(Cc1ccco1)C2
InChIInChI=1S/C18H16N4O3/c23-18(24)16-15-3-4-22(10-14-2-1-5-25-14)9-13(15)8-21-17(16)12-6-19-11-20-7-12/h1-2,5-8,11H,3-4,9-10H2,(H,23,24)
InChIKeyDFKPLFYIHJDUDZ-UHFFFAOYSA-N
XLogP2.39
TPSA92.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-ylmethyl)-3-pyrimidin-5-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The IUPAC name of 7-(furan-2-ylmethyl)-3-pyrimidin-5-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid (CID 97389657) is 7-(furan-2-ylmethyl)-3-pyrimidin-5-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid.
What is the SMILES notation for 7-(furan-2-ylmethyl)-3-pyrimidin-5-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The canonical SMILES for 7-(furan-2-ylmethyl)-3-pyrimidin-5-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid is O=C(O)c1c(-c2cncnc2)ncc2c1CCN(Cc1ccco1)C2.
What is the InChIKey of 7-(furan-2-ylmethyl)-3-pyrimidin-5-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The InChIKey is DFKPLFYIHJDUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c23-18(24)16-15-3-4-22(10-14-2-1-5-25-14)9-13(15)8-21-17(16)12-6-19-11-20-7-12/h1-2,5-8,11H,3-4,9-10H2,(H,23,24).
What are the key properties of 7-(furan-2-ylmethyl)-3-pyrimidin-5-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
7-(furan-2-ylmethyl)-3-pyrimidin-5-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid has a molecular weight of 336.35 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-ylmethyl)-3-pyrimidin-5-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid is sourced from PubChem (CID 97389657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).