methyl 4-[[6-[ethyl(propan-2-yl)amino]-4-propan-2-ylpyridine-2-carbonyl]amino]-2-methylbenzoate

C23H31N3O3 — CID 171085338

IUPACmethyl 4-[[6-[ethyl(propan-2-yl)amino]-4-propan-2-ylpyridine-2-carbonyl]amino]-2-methylbenzoate
SMILESCCN(c1cc(C(C)C)cc(C(=O)Nc2ccc(C(=O)OC)c(C)c2)n1)C(C)C
InChIInChI=1S/C23H31N3O3/c1-8-26(15(4)5)21-13-17(14(2)3)12-20(25-21)22(27)24-18-9-10-19(16(6)11-18)23(28)29-7/h9-15H,8H2,1-7H3,(H,24,27)
InChIKeyHALUVFNUHDTDBE-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.79
Rot. Bonds7

About methyl 4-[[6-[ethyl(propan-2-yl)amino]-4-propan-2-ylpyridine-2-carbonyl]amino]-2-methylbenzoate

methyl 4-[[6-[ethyl(propan-2-yl)amino]-4-propan-2-ylpyridine-2-carbonyl]amino]-2-methylbenzoate (PubChem CID 171085338) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is methyl 4-[[6-[ethyl(propan-2-yl)amino]-4-propan-2-ylpyridine-2-carbonyl]amino]-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-[[6-[ethyl(propan-2-yl)amino]-4-propan-2-ylpyridine-2-carbonyl]amino]-2-methylbenzoate
PubChem CID171085338
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Namemethyl 4-[[6-[ethyl(propan-2-yl)amino]-4-propan-2-ylpyridine-2-carbonyl]amino]-2-methylbenzoate
SMILESCCN(c1cc(C(C)C)cc(C(=O)Nc2ccc(C(=O)OC)c(C)c2)n1)C(C)C
InChIInChI=1S/C23H31N3O3/c1-8-26(15(4)5)21-13-17(14(2)3)12-20(25-21)22(27)24-18-9-10-19(16(6)11-18)23(28)29-7/h9-15H,8H2,1-7H3,(H,24,27)
InChIKeyHALUVFNUHDTDBE-UHFFFAOYSA-N
XLogP4.79
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[6-[ethyl(propan-2-yl)amino]-4-propan-2-ylpyridine-2-carbonyl]amino]-2-methylbenzoate with MolForge

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Related Compounds

tert-butyl 4-[[4-chloro-6-[ethyl(propan-2-yl)amino]pyridine-2-carbonyl]amino]benzoate
CID 171085275
methyl 6-[(3,4-dimethylphenyl)carbamoyl]pyridine-3-carboxylate
CID 31695014
6-[benzyl(propan-2-yl)amino]-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112846438
methyl 4-[[6-methyl-2-(2-methylpropylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109320941
ethyl 6-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55631526
methyl 4-[(1-ethyl-5-methylpyrazole-3-carbonyl)amino]benzoate
CID 110681771
6-[benzyl(propan-2-yl)amino]-N-(3-chlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112846435
methyl 2-methyl-4-(3-piperidin-4-ylbutanoylamino)benzoate;hydrochloride
CID 119775418
methyl 2-methyl-4-[(2-methyl-4-propan-2-yloxypenta-2,4-dienoyl)amino]benzoate
CID 123370576
methyl 4-[(1R)-1-aminoethyl]-2-methylbenzoate
CID 124539705
ethyl 2-chloro-4-[(4-methoxybenzoyl)amino]benzoate
CID 92673889
6-N,6-N-diethyl-2-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
CID 109098987

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[6-[ethyl(propan-2-yl)amino]-4-propan-2-ylpyridine-2-carbonyl]amino]-2-methylbenzoate?
The IUPAC name of methyl 4-[[6-[ethyl(propan-2-yl)amino]-4-propan-2-ylpyridine-2-carbonyl]amino]-2-methylbenzoate (CID 171085338) is methyl 4-[[6-[ethyl(propan-2-yl)amino]-4-propan-2-ylpyridine-2-carbonyl]amino]-2-methylbenzoate.
What is the SMILES notation for methyl 4-[[6-[ethyl(propan-2-yl)amino]-4-propan-2-ylpyridine-2-carbonyl]amino]-2-methylbenzoate?
The canonical SMILES for methyl 4-[[6-[ethyl(propan-2-yl)amino]-4-propan-2-ylpyridine-2-carbonyl]amino]-2-methylbenzoate is CCN(c1cc(C(C)C)cc(C(=O)Nc2ccc(C(=O)OC)c(C)c2)n1)C(C)C.
What is the InChIKey of methyl 4-[[6-[ethyl(propan-2-yl)amino]-4-propan-2-ylpyridine-2-carbonyl]amino]-2-methylbenzoate?
The InChIKey is HALUVFNUHDTDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-8-26(15(4)5)21-13-17(14(2)3)12-20(25-21)22(27)24-18-9-10-19(16(6)11-18)23(28)29-7/h9-15H,8H2,1-7H3,(H,24,27).
What are the key properties of methyl 4-[[6-[ethyl(propan-2-yl)amino]-4-propan-2-ylpyridine-2-carbonyl]amino]-2-methylbenzoate?
methyl 4-[[6-[ethyl(propan-2-yl)amino]-4-propan-2-ylpyridine-2-carbonyl]amino]-2-methylbenzoate has a molecular weight of 397.52 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[6-[ethyl(propan-2-yl)amino]-4-propan-2-ylpyridine-2-carbonyl]amino]-2-methylbenzoate is sourced from PubChem (CID 171085338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).