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

C17H24N2O2 — CID 143800976

IUPACpentyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCCCCOC(=O)N1CC=C(c2ccc(N)cc2)CC1
InChIInChI=1S/C17H24N2O2/c1-2-3-4-13-21-17(20)19-11-9-15(10-12-19)14-5-7-16(18)8-6-14/h5-9H,2-4,10-13,18H2,1H3
InChIKeyAOBWQQVTAYHZFS-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.68
Rot. Bonds5

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

pentyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 143800976) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is pentyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namepentyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID143800976
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Namepentyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCCCCOC(=O)N1CC=C(c2ccc(N)cc2)CC1
InChIInChI=1S/C17H24N2O2/c1-2-3-4-13-21-17(20)19-11-9-15(10-12-19)14-5-7-16(18)8-6-14/h5-9H,2-4,10-13,18H2,1H3
InChIKeyAOBWQQVTAYHZFS-UHFFFAOYSA-N
XLogP3.68
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 153154771
tert-butyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 53415310
benzyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 90182373
butyl 4-[4-(imidazo[1,2-a]pyridin-6-ylcarbamoylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 159334664
butyl 4-(6-chloro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 67566610
butyl 4-(4-aminophenyl)piperidine-1-carboxylate
CID 90886963
butyl 4-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 175792808
butyl 3-(2,2,2-trifluoroethyl)-2,5-dihydropyrrole-1-carboxylate
CID 175688995
butyl 4-oxoazepane-1-carboxylate
CID 23137098
tert-butyl 4-(4-amino-2-ethylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 118628442
butyl aziridine-1-carboxylate
CID 12641
1-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 142929013

Frequently Asked Questions

What is the IUPAC name of pentyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of pentyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate (CID 143800976) is pentyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for pentyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for pentyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate is CCCCCOC(=O)N1CC=C(c2ccc(N)cc2)CC1.
What is the InChIKey of pentyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is AOBWQQVTAYHZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-2-3-4-13-21-17(20)19-11-9-15(10-12-19)14-5-7-16(18)8-6-14/h5-9H,2-4,10-13,18H2,1H3.
What are the key properties of pentyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
pentyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 288.39 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 143800976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).