methyl 3-[[5-(2-methylpropylcarbamoyl)pyridine-3-carbonyl]amino]benzoate

C19H21N3O4 — CID 109102240

IUPACmethyl 3-[[5-(2-methylpropylcarbamoyl)pyridine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cncc(C(=O)NCC(C)C)c2)c1
InChIInChI=1S/C19H21N3O4/c1-12(2)9-21-17(23)14-7-15(11-20-10-14)18(24)22-16-6-4-5-13(8-16)19(25)26-3/h4-8,10-12H,9H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyAKOQXVUYXUSVDT-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.51
Rot. Bonds6

About methyl 3-[[5-(2-methylpropylcarbamoyl)pyridine-3-carbonyl]amino]benzoate

methyl 3-[[5-(2-methylpropylcarbamoyl)pyridine-3-carbonyl]amino]benzoate (PubChem CID 109102240) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is methyl 3-[[5-(2-methylpropylcarbamoyl)pyridine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[5-(2-methylpropylcarbamoyl)pyridine-3-carbonyl]amino]benzoate
PubChem CID109102240
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Namemethyl 3-[[5-(2-methylpropylcarbamoyl)pyridine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cncc(C(=O)NCC(C)C)c2)c1
InChIInChI=1S/C19H21N3O4/c1-12(2)9-21-17(23)14-7-15(11-20-10-14)18(24)22-16-6-4-5-13(8-16)19(25)26-3/h4-8,10-12H,9H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyAKOQXVUYXUSVDT-UHFFFAOYSA-N
XLogP2.51
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[5-(butylcarbamoyl)pyridine-3-carbonyl]amino]benzoate
CID 109102052
methyl 3-[[6-(2-methylpropylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109094522
methyl 3-(2-methylpropylcarbamoyl)benzoate
CID 108786629
methyl 3-[[5-[2-(dimethylamino)ethylcarbamoyl]pyridine-3-carbonyl]amino]benzoate
CID 109104143
methyl 3-(2-methylpropylcarbamoylamino)benzoate
CID 39732859
methyl 3-[[5-(3-acetylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109245797
3-N-(3-acetamidophenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 109051379
5-N-(3-chloro-4-methoxyphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide
CID 109102217
methyl 3-[[5-[(3-chlorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109244492
methyl 3-[[5-(4-fluoroanilino)pyridine-3-carbonyl]amino]benzoate
CID 109244328
N-[3-(2-methylpropylcarbamoyl)phenyl]pyridazine-4-carboxamide
CID 131898619
methyl 3-[[5-[(3,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109242927

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[5-(2-methylpropylcarbamoyl)pyridine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 3-[[5-(2-methylpropylcarbamoyl)pyridine-3-carbonyl]amino]benzoate (CID 109102240) is methyl 3-[[5-(2-methylpropylcarbamoyl)pyridine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[5-(2-methylpropylcarbamoyl)pyridine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 3-[[5-(2-methylpropylcarbamoyl)pyridine-3-carbonyl]amino]benzoate is COC(=O)c1cccc(NC(=O)c2cncc(C(=O)NCC(C)C)c2)c1.
What is the InChIKey of methyl 3-[[5-(2-methylpropylcarbamoyl)pyridine-3-carbonyl]amino]benzoate?
The InChIKey is AKOQXVUYXUSVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-12(2)9-21-17(23)14-7-15(11-20-10-14)18(24)22-16-6-4-5-13(8-16)19(25)26-3/h4-8,10-12H,9H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of methyl 3-[[5-(2-methylpropylcarbamoyl)pyridine-3-carbonyl]amino]benzoate?
methyl 3-[[5-(2-methylpropylcarbamoyl)pyridine-3-carbonyl]amino]benzoate has a molecular weight of 355.39 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[5-(2-methylpropylcarbamoyl)pyridine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 109102240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).