benzyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate

C19H20N2O2 — CID 90182373

IUPACbenzyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESNc1ccc(C2=CCN(C(=O)OCc3ccccc3)CC2)cc1
InChIInChI=1S/C19H20N2O2/c20-18-8-6-16(7-9-18)17-10-12-21(13-11-17)19(22)23-14-15-4-2-1-3-5-15/h1-10H,11-14,20H2
InChIKeyMWOWNZLPNOHURR-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.69
Rot. Bonds3

About benzyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate

benzyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 90182373) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is benzyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID90182373
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Namebenzyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESNc1ccc(C2=CCN(C(=O)OCc3ccccc3)CC2)cc1
InChIInChI=1S/C19H20N2O2/c20-18-8-6-16(7-9-18)17-10-12-21(13-11-17)19(22)23-14-15-4-2-1-3-5-15/h1-10H,11-14,20H2
InChIKeyMWOWNZLPNOHURR-UHFFFAOYSA-N
XLogP3.69
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze benzyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 4-(3-cyano-4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 11336620
benzyl 3-(4-chlorophenyl)-2,5-dihydropyrrole-1-carboxylate
CID 11507904
tert-butyl 7-(1-phenylmethoxycarbonyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate
CID 58940751
butyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 153154771
5-(1-phenylmethoxycarbonyl-3,6-dihydro-2H-pyridin-4-yl)-2,3,4,7-tetrahydroazepine-1,2-dicarboxylic acid
CID 137481610
benzyl 4-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-6-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 143841789
pentyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 143800976
5-(1-phenylmethoxycarbonyl-3,6-dihydro-2H-pyridin-4-yl)-2,3,6,7-tetrahydroazepine-1,2-dicarboxylic acid
CID 137481658
benzyl 4-(3-fluoro-5-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 163734698
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 7-amino-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate
CID 58015350
benzyl 4-(2-methoxy-2-oxoethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 59555173

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of benzyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate (CID 90182373) is benzyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for benzyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for benzyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate is Nc1ccc(C2=CCN(C(=O)OCc3ccccc3)CC2)cc1.
What is the InChIKey of benzyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is MWOWNZLPNOHURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c20-18-8-6-16(7-9-18)17-10-12-21(13-11-17)19(22)23-14-15-4-2-1-3-5-15/h1-10H,11-14,20H2.
What are the key properties of benzyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
benzyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 90182373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).