7-(aminomethyl)-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylic acid

C10H13N3O2 — CID 175467955

IUPAC7-(aminomethyl)-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylic acid
SMILESNCc1cc2c(cn1)CCN(C(=O)O)C2
InChIInChI=1S/C10H13N3O2/c11-4-9-3-8-6-13(10(14)15)2-1-7(8)5-12-9/h3,5H,1-2,4,6,11H2,(H,14,15)
InChIKeyPSQZVJVCOWGVEF-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.58
Rot. Bonds1

About 7-(aminomethyl)-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylic acid

7-(aminomethyl)-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylic acid (PubChem CID 175467955) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 7-(aminomethyl)-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylic acid.

Molecular Properties

Compound Name7-(aminomethyl)-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylic acid
PubChem CID175467955
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name7-(aminomethyl)-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylic acid
SMILESNCc1cc2c(cn1)CCN(C(=O)O)C2
InChIInChI=1S/C10H13N3O2/c11-4-9-3-8-6-13(10(14)15)2-1-7(8)5-12-9/h3,5H,1-2,4,6,11H2,(H,14,15)
InChIKeyPSQZVJVCOWGVEF-UHFFFAOYSA-N
XLogP0.58
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-(methoxymethyl)-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylic acid
CID 146273702
3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxylic acid
CID 155143574
6-amino-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylic acid
CID 70299304
(6-phenyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl)methanamine
CID 156818619
3-amino-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylic acid
CID 175443625
7-(iodomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 68876412
2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
CID 83835396
2,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxylic acid
CID 68725346
7-[(E)-2-carboxyethenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 70302477
6-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 118007702
3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid
CID 174750188
tert-butyl 6-ethyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate
CID 163817292

Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylic acid?
The IUPAC name of 7-(aminomethyl)-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylic acid (CID 175467955) is 7-(aminomethyl)-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylic acid.
What is the SMILES notation for 7-(aminomethyl)-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylic acid?
The canonical SMILES for 7-(aminomethyl)-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylic acid is NCc1cc2c(cn1)CCN(C(=O)O)C2.
What is the InChIKey of 7-(aminomethyl)-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylic acid?
The InChIKey is PSQZVJVCOWGVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c11-4-9-3-8-6-13(10(14)15)2-1-7(8)5-12-9/h3,5H,1-2,4,6,11H2,(H,14,15).
What are the key properties of 7-(aminomethyl)-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylic acid?
7-(aminomethyl)-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylic acid is sourced from PubChem (CID 175467955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).