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

C19H24N2O2 — CID 146674959

IUPACmethyl 4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-3-carboxylate
SMILESCOC(=O)c1cn(C(C)C)/c(=N/C(C)C)cc1-c1ccccc1
InChIInChI=1S/C19H24N2O2/c1-13(2)20-18-11-16(15-9-7-6-8-10-15)17(19(22)23-5)12-21(18)14(3)4/h6-14H,1-5H3/b20-18+
InChIKeyIBMPOERNBFAHOD-CZIZESTLSA-N
MW312.41 g/mol
LogP3.83
Rot. Bonds4

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

methyl 4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-3-carboxylate (PubChem CID 146674959) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is methyl 4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-3-carboxylate
PubChem CID146674959
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Namemethyl 4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-3-carboxylate
SMILESCOC(=O)c1cn(C(C)C)/c(=N/C(C)C)cc1-c1ccccc1
InChIInChI=1S/C19H24N2O2/c1-13(2)20-18-11-16(15-9-7-6-8-10-15)17(19(22)23-5)12-21(18)14(3)4/h6-14H,1-5H3/b20-18+
InChIKeyIBMPOERNBFAHOD-CZIZESTLSA-N
XLogP3.83
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl 4-(4-methylphenyl)-1-propan-2-yl-6-propan-2-yliminopyridine-2,3-dicarboxylate
CID 146674995
methyl 4-amino-2-phenylbenzoate
CID 15406988
methyl 2-phenyl-4-sulfanylbenzoate
CID 54364019
methyl 2,5-dihydroxy-4-phenylbenzoate
CID 166444407
methyl 6-phenyl-2,3-dihydro-1H-indene-5-carboxylate
CID 132566202
methyl 7-oxo-5-phenyl-12-azatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaene-2-carboxylate
CID 10935568
methyl 2-methoxy-3,5-diphenylbenzoate
CID 142693331
methyl 5-formyl-4-methyl-2-phenylbenzoate
CID 174407984
dimethyl 3-amino-4,5-diphenylbenzene-1,2-dicarboxylate
CID 11581299
dimethyl 2-phenyl-5-[(E)-2-phenylethenyl]benzene-1,4-dicarboxylate
CID 134959139
methyl 2-[di(propan-2-yl)carbamoyl]-4-phenylbenzoate
CID 102219452
methyl 5-methyl-2-phenylbenzoate;5-methyl-2-phenylbenzoic acid
CID 70270036

Frequently Asked Questions

What is the IUPAC name of methyl 4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-3-carboxylate?
The IUPAC name of methyl 4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-3-carboxylate (CID 146674959) is methyl 4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-3-carboxylate.
What is the SMILES notation for methyl 4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-3-carboxylate?
The canonical SMILES for methyl 4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-3-carboxylate is COC(=O)c1cn(C(C)C)/c(=N/C(C)C)cc1-c1ccccc1.
What is the InChIKey of methyl 4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-3-carboxylate?
The InChIKey is IBMPOERNBFAHOD-CZIZESTLSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13(2)20-18-11-16(15-9-7-6-8-10-15)17(19(22)23-5)12-21(18)14(3)4/h6-14H,1-5H3/b20-18+.
What are the key properties of methyl 4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-3-carboxylate?
methyl 4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-3-carboxylate has a molecular weight of 312.41 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-phenyl-1-propan-2-yl-6-propan-2-yliminopyridine-3-carboxylate is sourced from PubChem (CID 146674959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).