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

C19H17N5O2 — CID 97463671

IUPAC7-(pyridin-3-ylmethyl)-3-pyrimidin-5-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
SMILESO=C(O)c1c(-c2cncnc2)ncc2c1CCN(Cc1cccnc1)C2
InChIInChI=1S/C19H17N5O2/c25-19(26)17-16-3-5-24(10-13-2-1-4-20-6-13)11-15(16)9-23-18(17)14-7-21-12-22-8-14/h1-2,4,6-9,12H,3,5,10-11H2,(H,25,26)
InChIKeyPQCMIUJDJLLJET-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.19
Rot. Bonds4

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

7-(pyridin-3-ylmethyl)-3-pyrimidin-5-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid (PubChem CID 97463671) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 7-(pyridin-3-ylmethyl)-3-pyrimidin-5-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid.

Molecular Properties

Compound Name7-(pyridin-3-ylmethyl)-3-pyrimidin-5-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
PubChem CID97463671
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name7-(pyridin-3-ylmethyl)-3-pyrimidin-5-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
SMILESO=C(O)c1c(-c2cncnc2)ncc2c1CCN(Cc1cccnc1)C2
InChIInChI=1S/C19H17N5O2/c25-19(26)17-16-3-5-24(10-13-2-1-4-20-6-13)11-15(16)9-23-18(17)14-7-21-12-22-8-14/h1-2,4,6-9,12H,3,5,10-11H2,(H,25,26)
InChIKeyPQCMIUJDJLLJET-UHFFFAOYSA-N
XLogP2.19
TPSA92.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(pyridin-3-ylmethyl)-3-pyrimidin-5-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The IUPAC name of 7-(pyridin-3-ylmethyl)-3-pyrimidin-5-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid (CID 97463671) is 7-(pyridin-3-ylmethyl)-3-pyrimidin-5-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid.
What is the SMILES notation for 7-(pyridin-3-ylmethyl)-3-pyrimidin-5-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The canonical SMILES for 7-(pyridin-3-ylmethyl)-3-pyrimidin-5-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid is O=C(O)c1c(-c2cncnc2)ncc2c1CCN(Cc1cccnc1)C2.
What is the InChIKey of 7-(pyridin-3-ylmethyl)-3-pyrimidin-5-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The InChIKey is PQCMIUJDJLLJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c25-19(26)17-16-3-5-24(10-13-2-1-4-20-6-13)11-15(16)9-23-18(17)14-7-21-12-22-8-14/h1-2,4,6-9,12H,3,5,10-11H2,(H,25,26).
What are the key properties of 7-(pyridin-3-ylmethyl)-3-pyrimidin-5-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
7-(pyridin-3-ylmethyl)-3-pyrimidin-5-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid has a molecular weight of 347.38 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(pyridin-3-ylmethyl)-3-pyrimidin-5-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid is sourced from PubChem (CID 97463671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).