methyl 3-[[2-(propylcarbamoyl)pyridine-4-carbonyl]amino]benzoate

C18H19N3O4 — CID 109077959

IUPACmethyl 3-[[2-(propylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
SMILESCCCNC(=O)c1cc(C(=O)Nc2cccc(C(=O)OC)c2)ccn1
InChIInChI=1S/C18H19N3O4/c1-3-8-20-17(23)15-11-12(7-9-19-15)16(22)21-14-6-4-5-13(10-14)18(24)25-2/h4-7,9-11H,3,8H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyLWHFMFNWIXDNKS-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.26
Rot. Bonds6

About methyl 3-[[2-(propylcarbamoyl)pyridine-4-carbonyl]amino]benzoate

methyl 3-[[2-(propylcarbamoyl)pyridine-4-carbonyl]amino]benzoate (PubChem CID 109077959) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is methyl 3-[[2-(propylcarbamoyl)pyridine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(propylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
PubChem CID109077959
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Namemethyl 3-[[2-(propylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
SMILESCCCNC(=O)c1cc(C(=O)Nc2cccc(C(=O)OC)c2)ccn1
InChIInChI=1S/C18H19N3O4/c1-3-8-20-17(23)15-11-12(7-9-19-15)16(22)21-14-6-4-5-13(10-14)18(24)25-2/h4-7,9-11H,3,8H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyLWHFMFNWIXDNKS-UHFFFAOYSA-N
XLogP2.26
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[2-(dipropylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109090593
2-N-(3-methoxyphenyl)-4-N-propylpyridine-2,4-dicarboxamide
CID 109077744
methyl 3-[[2-[(4-fluorophenyl)carbamoyl]pyridine-4-carbonyl]amino]benzoate
CID 109092752
methyl 3-[[4-(prop-2-enylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109078938
4-N-(4-ethylphenyl)-2-N-propylpyridine-2,4-dicarboxamide
CID 109077915
methyl 3-[[2-[methyl(phenyl)carbamoyl]pyridine-4-carbonyl]amino]benzoate
CID 109091517
4-N-(4-bromophenyl)-2-N-propylpyridine-2,4-dicarboxamide
CID 109077938
2-N-butyl-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109079525
methyl 3-[(4-methylpyridine-2-carbonyl)amino]benzoate
CID 110861657
2-N-(3-cyanophenyl)-4-N-propylpyridine-2,4-dicarboxamide
CID 109077804
methyl 3-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate
CID 109052619
methyl 3-[[2-[butyl(methyl)amino]pyridine-4-carbonyl]amino]benzoate
CID 109175597

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(propylcarbamoyl)pyridine-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 3-[[2-(propylcarbamoyl)pyridine-4-carbonyl]amino]benzoate (CID 109077959) is methyl 3-[[2-(propylcarbamoyl)pyridine-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-(propylcarbamoyl)pyridine-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-(propylcarbamoyl)pyridine-4-carbonyl]amino]benzoate is CCCNC(=O)c1cc(C(=O)Nc2cccc(C(=O)OC)c2)ccn1.
What is the InChIKey of methyl 3-[[2-(propylcarbamoyl)pyridine-4-carbonyl]amino]benzoate?
The InChIKey is LWHFMFNWIXDNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-3-8-20-17(23)15-11-12(7-9-19-15)16(22)21-14-6-4-5-13(10-14)18(24)25-2/h4-7,9-11H,3,8H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of methyl 3-[[2-(propylcarbamoyl)pyridine-4-carbonyl]amino]benzoate?
methyl 3-[[2-(propylcarbamoyl)pyridine-4-carbonyl]amino]benzoate has a molecular weight of 341.37 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(propylcarbamoyl)pyridine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 109077959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).