ethyl 1-methyl-4-(1-phenylethylamino)-3,6-dihydro-2H-pyridine-5-carboxylate

C17H24N2O2 — CID 6422014

IUPACethyl 1-methyl-4-(1-phenylethylamino)-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(NC(C)c2ccccc2)CCN(C)C1
InChIInChI=1S/C17H24N2O2/c1-4-21-17(20)15-12-19(3)11-10-16(15)18-13(2)14-8-6-5-7-9-14/h5-9,13,18H,4,10-12H2,1-3H3
InChIKeyFLBCJOCUKHITNY-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.49
Rot. Bonds5

About ethyl 1-methyl-4-(1-phenylethylamino)-3,6-dihydro-2H-pyridine-5-carboxylate

ethyl 1-methyl-4-(1-phenylethylamino)-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 6422014) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is ethyl 1-methyl-4-(1-phenylethylamino)-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-4-(1-phenylethylamino)-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID6422014
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Nameethyl 1-methyl-4-(1-phenylethylamino)-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(NC(C)c2ccccc2)CCN(C)C1
InChIInChI=1S/C17H24N2O2/c1-4-21-17(20)15-12-19(3)11-10-16(15)18-13(2)14-8-6-5-7-9-14/h5-9,13,18H,4,10-12H2,1-3H3
InChIKeyFLBCJOCUKHITNY-UHFFFAOYSA-N
XLogP2.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxycarbonyl-5-(1-phenylethylamino)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 142793713
1-O-tert-butyl 5-O-ethyl 4-[[(1R)-1-phenylethyl]amino]-3,6-dihydro-2H-pyridine-1,5-dicarboxylate
CID 10872460
1-O-tert-butyl 6-O-ethyl 5-(1-phenylethylamino)-2,3,4,7-tetrahydroazepine-1,6-dicarboxylate
CID 142867149
2-(1-phenylethylamino)cyclopentene-1-carboxylic acid
CID 22601904
ethyl 2-(1-phenylethylamino)benzoate;hydrochloride
CID 172883208
ethyl 2-[(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)amino]-3-methylbutanoate
CID 23395547
ethyl 4-hydroxy-5-oxo-1-[(1R)-1-phenylethyl]-2H-pyrrole-3-carboxylate
CID 54737685
methane;bis(methyl 2-[[(1R)-1-phenylethyl]amino]cycloheptene-1-carboxylate);molecular hydrogen;sulfane
CID 158509744
ethyl 5-[[(1S)-1-phenylethyl]amino]-1,3-thiazole-4-carboxylate
CID 129370103
ethyl 6-oxo-1-phenyl-4-[[(1S)-1-phenylethyl]amino]pyridazine-3-carboxylate
CID 27646514
ethyl 3-bromo-4-(1-phenylethylamino)benzoate
CID 43684354
ethyl 2-(propan-2-ylamino)cyclohexene-1-carboxylate
CID 15275325

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-4-(1-phenylethylamino)-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of ethyl 1-methyl-4-(1-phenylethylamino)-3,6-dihydro-2H-pyridine-5-carboxylate (CID 6422014) is ethyl 1-methyl-4-(1-phenylethylamino)-3,6-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for ethyl 1-methyl-4-(1-phenylethylamino)-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for ethyl 1-methyl-4-(1-phenylethylamino)-3,6-dihydro-2H-pyridine-5-carboxylate is CCOC(=O)C1=C(NC(C)c2ccccc2)CCN(C)C1.
What is the InChIKey of ethyl 1-methyl-4-(1-phenylethylamino)-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is FLBCJOCUKHITNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-21-17(20)15-12-19(3)11-10-16(15)18-13(2)14-8-6-5-7-9-14/h5-9,13,18H,4,10-12H2,1-3H3.
What are the key properties of ethyl 1-methyl-4-(1-phenylethylamino)-3,6-dihydro-2H-pyridine-5-carboxylate?
ethyl 1-methyl-4-(1-phenylethylamino)-3,6-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 288.39 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-4-(1-phenylethylamino)-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 6422014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).