methyl 2-(pyridin-3-ylmethylcarbamoylamino)benzoate

C15H15N3O3 — CID 970862

IUPACmethyl 2-(pyridin-3-ylmethylcarbamoylamino)benzoate
SMILESCOC(=O)c1ccccc1NC(=O)NCc1cccnc1
InChIInChI=1S/C15H15N3O3/c1-21-14(19)12-6-2-3-7-13(12)18-15(20)17-10-11-5-4-8-16-9-11/h2-9H,10H2,1H3,(H2,17,18,20)
InChIKeyUDZKCTOWFIGASI-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.19
Rot. Bonds4

About methyl 2-(pyridin-3-ylmethylcarbamoylamino)benzoate

methyl 2-(pyridin-3-ylmethylcarbamoylamino)benzoate (PubChem CID 970862) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is methyl 2-(pyridin-3-ylmethylcarbamoylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-(pyridin-3-ylmethylcarbamoylamino)benzoate
PubChem CID970862
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Namemethyl 2-(pyridin-3-ylmethylcarbamoylamino)benzoate
SMILESCOC(=O)c1ccccc1NC(=O)NCc1cccnc1
InChIInChI=1S/C15H15N3O3/c1-21-14(19)12-6-2-3-7-13(12)18-15(20)17-10-11-5-4-8-16-9-11/h2-9H,10H2,1H3,(H2,17,18,20)
InChIKeyUDZKCTOWFIGASI-UHFFFAOYSA-N
XLogP2.19
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-(pyridine-3-carbonylamino)benzoate
CID 279888
Benzoic acid, 2-((3-pyridinylcarbonyl)amino)-, methyl ester, monohydrochloride
CID 40076
Benzoic acid, 3-((3-pyridinylcarbonyl)amino)-, methyl ester, N-oxide
CID 47522
Ethyl 2-morpholin-4-yl-5-(3-pyridylcarbonylamino)benzoate
CID 3162289
4-({[2-(Methoxycarbonyl)phenyl]amino}carbonyl)-1-methylpyridinium
CID 837410
2-[(Pyridin-3-ylmethyl)amino]benzoic acid
CID 3442459
2-Pyridin-3-yl-benzo(d)(1,3)oxazin-4-one
CID 722912
3-Pyridinecarboxylic acid, 5-(benzoylamino)-, ethyl ester
CID 657658
2-[(2-butoxypyrimidin-4-yl)amino]benzoic Acid
CID 1897784
2-[(2-Propoxypyrimidin-4-yl)amino]benzoic acid
CID 23647240
2-{[2-(Pentyloxy)pyrimidin-4-yl]amino}benzoic acid
CID 23647241
2-{[2-(Butylamino)pyrimidin-4-yl]amino}benzoic acid
CID 23647246

Frequently Asked Questions

What is the IUPAC name of methyl 2-(pyridin-3-ylmethylcarbamoylamino)benzoate?
The IUPAC name of methyl 2-(pyridin-3-ylmethylcarbamoylamino)benzoate (CID 970862) is methyl 2-(pyridin-3-ylmethylcarbamoylamino)benzoate.
What is the SMILES notation for methyl 2-(pyridin-3-ylmethylcarbamoylamino)benzoate?
The canonical SMILES for methyl 2-(pyridin-3-ylmethylcarbamoylamino)benzoate is COC(=O)c1ccccc1NC(=O)NCc1cccnc1.
What is the InChIKey of methyl 2-(pyridin-3-ylmethylcarbamoylamino)benzoate?
The InChIKey is UDZKCTOWFIGASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-21-14(19)12-6-2-3-7-13(12)18-15(20)17-10-11-5-4-8-16-9-11/h2-9H,10H2,1H3,(H2,17,18,20).
What are the key properties of methyl 2-(pyridin-3-ylmethylcarbamoylamino)benzoate?
methyl 2-(pyridin-3-ylmethylcarbamoylamino)benzoate has a molecular weight of 285.30 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(pyridin-3-ylmethylcarbamoylamino)benzoate is sourced from PubChem (CID 970862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).