ethyl 2-methyl-4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-3-carboxylate

C21H28N2O2 — CID 146674971

IUPACethyl 2-methyl-4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)c/c(=N\C(C)C)n(C(C)C)c1C
InChIInChI=1S/C21H28N2O2/c1-7-25-21(24)20-16(6)23(15(4)5)19(22-14(2)3)13-18(20)17-11-9-8-10-12-17/h8-15H,7H2,1-6H3/b22-19+
InChIKeyGYMBBLICUXWSBA-ZBJSNUHESA-N
MW340.47 g/mol
LogP4.53
Rot. Bonds5

About ethyl 2-methyl-4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-3-carboxylate

ethyl 2-methyl-4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-3-carboxylate (PubChem CID 146674971) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is ethyl 2-methyl-4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-3-carboxylate
PubChem CID146674971
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Nameethyl 2-methyl-4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)c/c(=N\C(C)C)n(C(C)C)c1C
InChIInChI=1S/C21H28N2O2/c1-7-25-21(24)20-16(6)23(15(4)5)19(22-14(2)3)13-18(20)17-11-9-8-10-12-17/h8-15H,7H2,1-6H3/b22-19+
InChIKeyGYMBBLICUXWSBA-ZBJSNUHESA-N
XLogP4.53
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-phenyl-2-(trifluoromethyl)-4h-pyrido[1,2-a]pyrimidine-3-carboxylate
CID 129841820
Dimethyl 1-isopropyl-6-(isopropylimino)-4-[3-(trifluoromethyl)phenyl]-1,6-dihydropyridine-2,3-dicarboxylate
CID 146675022
ethyl 1,6-dimethyl-4-phenyl-4H-pyrimidine-5-carboxylate
CID 13640364
1,2,6-Trimethyl-4-phenyl-1,2-dihydropyridine-3,5-dicarboxylic acid diethyl ester
CID 12828894
Ethyl 6-(4-fluorophenyl)-1,6-dihydro-2,4-dimethyl-5-pyrimidinecarboxylate
CID 14513883
Ethyl 6-methyl-2-(2-methylprop-1-enyl)-4-phenyl-1,4-dihydropyrimidine-5-carboxylate
CID 44204396
ethyl 2-[(E)-3,3-dimethylbut-1-enyl]-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylate
CID 44204490
Methyl 1-isopropyl-6-(isopropylimino)-4-phenyl-1,6-dihydropyridine-3-carboxylate
CID 146674959
Dimethyl 1-isopropyl-6-(isopropylimino)-4-phenyl-1,6-dihydropyridine-2,3-dicarboxylate
CID 146674982
Dimethyl 1-isopropyl-6-(isopropylimino)-4-(p-tolyl)-1,6-dihydropyridine-2,3-dicarboxylate
CID 146674995
Dimethyl 4-(4-chlorophenyl)-1-isopropyl-6-(isopropylimino)-1,6-dihydropyridine-2,3-dicarboxylate
CID 146674996
Diethyl-1-isopropyl-6-(isopropylimino)-4-phenyl-1,6-dihydropyridine-2,3-dicarboxylate
CID 146675009

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-3-carboxylate?
The IUPAC name of ethyl 2-methyl-4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-3-carboxylate (CID 146674971) is ethyl 2-methyl-4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-3-carboxylate is CCOC(=O)c1c(-c2ccccc2)c/c(=N\C(C)C)n(C(C)C)c1C.
What is the InChIKey of ethyl 2-methyl-4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-3-carboxylate?
The InChIKey is GYMBBLICUXWSBA-ZBJSNUHESA-N. The full InChI is InChI=1S/C21H28N2O2/c1-7-25-21(24)20-16(6)23(15(4)5)19(22-14(2)3)13-18(20)17-11-9-8-10-12-17/h8-15H,7H2,1-6H3/b22-19+.
What are the key properties of ethyl 2-methyl-4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-3-carboxylate?
ethyl 2-methyl-4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-3-carboxylate has a molecular weight of 340.47 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-3-carboxylate is sourced from PubChem (CID 146674971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).