methyl 3-[[5-[methyl(2-pyridin-4-ylethyl)carbamoyl]-2-pyridinyl]amino]benzoate

C22H22N4O3 — CID 109159242

IUPACmethyl 3-[[5-[methyl(2-pyridin-4-ylethyl)carbamoyl]-2-pyridinyl]amino]benzoate
SMILESCOC(=O)c1cccc(Nc2ccc(C(=O)N(C)CCc3ccncc3)cn2)c1
InChIInChI=1S/C22H22N4O3/c1-26(13-10-16-8-11-23-12-9-16)21(27)18-6-7-20(24-15-18)25-19-5-3-4-17(14-19)22(28)29-2/h3-9,11-12,14-15H,10,13H2,1-2H3,(H,24,25)
InChIKeyUPZVZYNZSCDTPR-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.32
Rot. Bonds7

About methyl 3-[[5-[methyl(2-pyridin-4-ylethyl)carbamoyl]-2-pyridinyl]amino]benzoate

methyl 3-[[5-[methyl(2-pyridin-4-ylethyl)carbamoyl]-2-pyridinyl]amino]benzoate (PubChem CID 109159242) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is methyl 3-[[5-[methyl(2-pyridin-4-ylethyl)carbamoyl]-2-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[5-[methyl(2-pyridin-4-ylethyl)carbamoyl]-2-pyridinyl]amino]benzoate
PubChem CID109159242
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Namemethyl 3-[[5-[methyl(2-pyridin-4-ylethyl)carbamoyl]-2-pyridinyl]amino]benzoate
SMILESCOC(=O)c1cccc(Nc2ccc(C(=O)N(C)CCc3ccncc3)cn2)c1
InChIInChI=1S/C22H22N4O3/c1-26(13-10-16-8-11-23-12-9-16)21(27)18-6-7-20(24-15-18)25-19-5-3-4-17(14-19)22(28)29-2/h3-9,11-12,14-15H,10,13H2,1-2H3,(H,24,25)
InChIKeyUPZVZYNZSCDTPR-UHFFFAOYSA-N
XLogP3.32
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[5-[methyl(2-pyridin-4-ylethyl)carbamoyl]-2-pyridinyl]amino]benzoate with MolForge

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Related Compounds

N-methyl-6-(4-propan-2-yloxyanilino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109159233
6-(2-methoxy-5-methylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109159231
5-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109237031
N-methyl-6-(2-phenylethylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109158205
N-methyl-6-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109151190
6-[2-(4-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109158980
methyl 3-[[4-[butyl(methyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109175534
6-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
CID 109122715
methyl 3-[[5-(3-methoxypropylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109153389
N-methyl-5-(3-methylanilino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109236995
methyl 3-[[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]benzoate
CID 112860978
methyl 3-(pyridin-4-ylmethylcarbamoylamino)benzoate
CID 110706370

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[5-[methyl(2-pyridin-4-ylethyl)carbamoyl]-2-pyridinyl]amino]benzoate?
The IUPAC name of methyl 3-[[5-[methyl(2-pyridin-4-ylethyl)carbamoyl]-2-pyridinyl]amino]benzoate (CID 109159242) is methyl 3-[[5-[methyl(2-pyridin-4-ylethyl)carbamoyl]-2-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[5-[methyl(2-pyridin-4-ylethyl)carbamoyl]-2-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 3-[[5-[methyl(2-pyridin-4-ylethyl)carbamoyl]-2-pyridinyl]amino]benzoate is COC(=O)c1cccc(Nc2ccc(C(=O)N(C)CCc3ccncc3)cn2)c1.
What is the InChIKey of methyl 3-[[5-[methyl(2-pyridin-4-ylethyl)carbamoyl]-2-pyridinyl]amino]benzoate?
The InChIKey is UPZVZYNZSCDTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-26(13-10-16-8-11-23-12-9-16)21(27)18-6-7-20(24-15-18)25-19-5-3-4-17(14-19)22(28)29-2/h3-9,11-12,14-15H,10,13H2,1-2H3,(H,24,25).
What are the key properties of methyl 3-[[5-[methyl(2-pyridin-4-ylethyl)carbamoyl]-2-pyridinyl]amino]benzoate?
methyl 3-[[5-[methyl(2-pyridin-4-ylethyl)carbamoyl]-2-pyridinyl]amino]benzoate has a molecular weight of 390.44 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[5-[methyl(2-pyridin-4-ylethyl)carbamoyl]-2-pyridinyl]amino]benzoate is sourced from PubChem (CID 109159242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).