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

C18H16N4O3 — CID 97389658

IUPAC7-(furan-3-ylmethyl)-3-pyrimidin-5-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
SMILESO=C(O)c1c(-c2cncnc2)ncc2c1CCN(Cc1ccoc1)C2
InChIInChI=1S/C18H16N4O3/c23-18(24)16-15-1-3-22(8-12-2-4-25-10-12)9-14(15)7-21-17(16)13-5-19-11-20-6-13/h2,4-7,10-11H,1,3,8-9H2,(H,23,24)
InChIKeyXGRPTPCXQAWRNV-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.39
Rot. Bonds4

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

7-(furan-3-ylmethyl)-3-pyrimidin-5-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid (PubChem CID 97389658) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 7-(furan-3-ylmethyl)-3-pyrimidin-5-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid.

Molecular Properties

Compound Name7-(furan-3-ylmethyl)-3-pyrimidin-5-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
PubChem CID97389658
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name7-(furan-3-ylmethyl)-3-pyrimidin-5-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
SMILESO=C(O)c1c(-c2cncnc2)ncc2c1CCN(Cc1ccoc1)C2
InChIInChI=1S/C18H16N4O3/c23-18(24)16-15-1-3-22(8-12-2-4-25-10-12)9-14(15)7-21-17(16)13-5-19-11-20-6-13/h2,4-7,10-11H,1,3,8-9H2,(H,23,24)
InChIKeyXGRPTPCXQAWRNV-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

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

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Related Compounds

3-(dimethylamino)-7-(furan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 97463619
7-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 97389655
2-(furan-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 83172634
7-[[(3R)-oxolan-3-yl]methyl]-3-pyridin-3-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 97463665
7-[[(3R)-oxolan-3-yl]methyl]-3-pyridin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 97463659
3-amino-7-ethyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 165498774
1-[5-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thiophen-2-yl]ethanone
CID 24910978
7-(furan-3-ylmethyl)-3-pyridin-4-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 155852006
N-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine;trihydrochloride
CID 118742168
7-(furan-3-ylmethyl)-4-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 97381245
1-(furan-3-ylmethyl)-4-phenylpiperidine-4-carboxylic acid
CID 65072209
2-pyridin-4-yl-6-(pyrimidin-5-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913429

Frequently Asked Questions

What is the IUPAC name of 7-(furan-3-ylmethyl)-3-pyrimidin-5-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The IUPAC name of 7-(furan-3-ylmethyl)-3-pyrimidin-5-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid (CID 97389658) is 7-(furan-3-ylmethyl)-3-pyrimidin-5-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid.
What is the SMILES notation for 7-(furan-3-ylmethyl)-3-pyrimidin-5-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The canonical SMILES for 7-(furan-3-ylmethyl)-3-pyrimidin-5-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid is O=C(O)c1c(-c2cncnc2)ncc2c1CCN(Cc1ccoc1)C2.
What is the InChIKey of 7-(furan-3-ylmethyl)-3-pyrimidin-5-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The InChIKey is XGRPTPCXQAWRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c23-18(24)16-15-1-3-22(8-12-2-4-25-10-12)9-14(15)7-21-17(16)13-5-19-11-20-6-13/h2,4-7,10-11H,1,3,8-9H2,(H,23,24).
What are the key properties of 7-(furan-3-ylmethyl)-3-pyrimidin-5-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
7-(furan-3-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-3-ylmethyl)-3-pyrimidin-5-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid is sourced from PubChem (CID 97389658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).