benzyl 4-amino-4H-pyridine-1-carboxylate

C13H14N2O2 — CID 10376553

IUPACbenzyl 4-amino-4H-pyridine-1-carboxylate
SMILESNC1C=CN(C(=O)OCc2ccccc2)C=C1
InChIInChI=1S/C13H14N2O2/c14-12-6-8-15(9-7-12)13(16)17-10-11-4-2-1-3-5-11/h1-9,12H,10,14H2
InChIKeyBIJVEKBRCNZNPW-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.99
Rot. Bonds2

About benzyl 4-amino-4H-pyridine-1-carboxylate

benzyl 4-amino-4H-pyridine-1-carboxylate (PubChem CID 10376553) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is benzyl 4-amino-4H-pyridine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-amino-4H-pyridine-1-carboxylate
PubChem CID10376553
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Namebenzyl 4-amino-4H-pyridine-1-carboxylate
SMILESNC1C=CN(C(=O)OCc2ccccc2)C=C1
InChIInChI=1S/C13H14N2O2/c14-12-6-8-15(9-7-12)13(16)17-10-11-4-2-1-3-5-11/h1-9,12H,10,14H2
InChIKeyBIJVEKBRCNZNPW-UHFFFAOYSA-N
XLogP1.99
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Benzyloxy-2(1H)-pyridone
CID 3607724
Benzyl piperazine-1-carboxylate
CID 643495
Benzyl Cyanomethylcarbamate
CID 244143
benzyl N-methylcarbamate
CID 562265
(2R,6S)-rel-Benzyl 2,6-dimethylpiperazine-1-carboxylate
CID 46884035
benzyl N-(3-aminopropyl)carbamate hydrochloride
CID 13196227
benzyl N-(prop-2-en-1-yl)carbamate
CID 562279
Benzyl 3-pyrroline-1-carboxylate
CID 643471
4-Cbz-aminopiperidine
CID 1514304
Benzyl 5,6-dihydropyridine-1(2H)-carboxylate
CID 11458613
Benzyl 3,4-dihydropyridine-1(2H)-carboxylate
CID 15637681
Benzyl 4-aminobutyl(3-aminopropyl)carbamate
CID 389610

Frequently Asked Questions

What is the IUPAC name of benzyl 4-amino-4H-pyridine-1-carboxylate?
The IUPAC name of benzyl 4-amino-4H-pyridine-1-carboxylate (CID 10376553) is benzyl 4-amino-4H-pyridine-1-carboxylate.
What is the SMILES notation for benzyl 4-amino-4H-pyridine-1-carboxylate?
The canonical SMILES for benzyl 4-amino-4H-pyridine-1-carboxylate is NC1C=CN(C(=O)OCc2ccccc2)C=C1.
What is the InChIKey of benzyl 4-amino-4H-pyridine-1-carboxylate?
The InChIKey is BIJVEKBRCNZNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c14-12-6-8-15(9-7-12)13(16)17-10-11-4-2-1-3-5-11/h1-9,12H,10,14H2.
What are the key properties of benzyl 4-amino-4H-pyridine-1-carboxylate?
benzyl 4-amino-4H-pyridine-1-carboxylate has a molecular weight of 230.27 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-amino-4H-pyridine-1-carboxylate is sourced from PubChem (CID 10376553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).