benzyl 5-[2-(aminomethyl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate

C23H23N3O2 — CID 164721039

IUPACbenzyl 5-[2-(aminomethyl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate
SMILESNCc1ccccc1-c1nccc2c1CCN(C(=O)OCc1ccccc1)C2
InChIInChI=1S/C23H23N3O2/c24-14-18-8-4-5-9-20(18)22-21-11-13-26(15-19(21)10-12-25-22)23(27)28-16-17-6-2-1-3-7-17/h1-10,12H,11,13-16,24H2
InChIKeyONLDTTQYXULESF-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.90
Rot. Bonds4

About benzyl 5-[2-(aminomethyl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate

benzyl 5-[2-(aminomethyl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate (PubChem CID 164721039) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is benzyl 5-[2-(aminomethyl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate.

Molecular Properties

Compound Namebenzyl 5-[2-(aminomethyl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate
PubChem CID164721039
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Namebenzyl 5-[2-(aminomethyl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate
SMILESNCc1ccccc1-c1nccc2c1CCN(C(=O)OCc1ccccc1)C2
InChIInChI=1S/C23H23N3O2/c24-14-18-8-4-5-9-20(18)22-21-11-13-26(15-19(21)10-12-25-22)23(27)28-16-17-6-2-1-3-7-17/h1-10,12H,11,13-16,24H2
InChIKeyONLDTTQYXULESF-UHFFFAOYSA-N
XLogP3.90
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 118993560
benzyl 3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 15326864
2-[2-(5-fluoro-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinolin-8-yl)phenyl]acetic acid
CID 71612101
benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 138492194
benzyl 3-hydroxyimino-4-oxopiperidine-1-carboxylate
CID 86617182
benzyl 6-acetyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 133061367
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 3,4,5,6,7,8-hexahydro-1H-isoquinoline-2-carboxylate
CID 101463739
benzyl aziridine-1-carboxylate;silane
CID 158496499
dibenzyl 1,7-diaza-4,10-diazoniacyclododecane-1,7-dicarboxylate dichloride
CID 172851166
benzyl 3-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate
CID 137379852
benzyl 6-cyano-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 133059107

Frequently Asked Questions

What is the IUPAC name of benzyl 5-[2-(aminomethyl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate?
The IUPAC name of benzyl 5-[2-(aminomethyl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate (CID 164721039) is benzyl 5-[2-(aminomethyl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate.
What is the SMILES notation for benzyl 5-[2-(aminomethyl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate?
The canonical SMILES for benzyl 5-[2-(aminomethyl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate is NCc1ccccc1-c1nccc2c1CCN(C(=O)OCc1ccccc1)C2.
What is the InChIKey of benzyl 5-[2-(aminomethyl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate?
The InChIKey is ONLDTTQYXULESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c24-14-18-8-4-5-9-20(18)22-21-11-13-26(15-19(21)10-12-25-22)23(27)28-16-17-6-2-1-3-7-17/h1-10,12H,11,13-16,24H2.
What are the key properties of benzyl 5-[2-(aminomethyl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate?
benzyl 5-[2-(aminomethyl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate has a molecular weight of 373.46 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 5-[2-(aminomethyl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate is sourced from PubChem (CID 164721039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).