methyl 4-[(4-aminopyridine-3-carbonyl)amino]benzoate

C14H13N3O3 — CID 110861759

IUPACmethyl 4-[(4-aminopyridine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cnccc2N)cc1
InChIInChI=1S/C14H13N3O3/c1-20-14(19)9-2-4-10(5-3-9)17-13(18)11-8-16-7-6-12(11)15/h2-8H,1H3,(H2,15,16)(H,17,18)
InChIKeyZKDIPQAEEGCBGV-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.70
Rot. Bonds3

About methyl 4-[(4-aminopyridine-3-carbonyl)amino]benzoate

methyl 4-[(4-aminopyridine-3-carbonyl)amino]benzoate (PubChem CID 110861759) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is methyl 4-[(4-aminopyridine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(4-aminopyridine-3-carbonyl)amino]benzoate
PubChem CID110861759
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Namemethyl 4-[(4-aminopyridine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cnccc2N)cc1
InChIInChI=1S/C14H13N3O3/c1-20-14(19)9-2-4-10(5-3-9)17-13(18)11-8-16-7-6-12(11)15/h2-8H,1H3,(H2,15,16)(H,17,18)
InChIKeyZKDIPQAEEGCBGV-UHFFFAOYSA-N
XLogP1.70
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 81235962
methyl 4-(pyridine-4-carbonylamino)benzoate;hydrochloride
CID 110756565
methyl 4-[(2-amino-5-hydroxybenzoyl)amino]benzoate
CID 107074324
4-amino-N-(4-nitrophenyl)pyridine-3-carboxamide
CID 81236039
4-amino-N-naphthalen-2-ylpyridine-3-carboxamide
CID 81240881
methyl 4-[(5-amino-2-methylpyridine-3-carbonyl)amino]benzoate
CID 61117590
4-amino-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 110862209
N-(4-amino-3-bromophenyl)-3-methoxypyridine-4-carboxamide
CID 105063037
3-amino-N-(4-bromophenyl)pyridine-4-carboxamide
CID 23633070
4-amino-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 81235930
4-amino-N-(1,3-benzodioxol-5-yl)pyridine-3-carboxamide
CID 81235040
methyl 4-[(5-aminofuran-2-carbonyl)amino]benzoate
CID 82344340

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-aminopyridine-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-[(4-aminopyridine-3-carbonyl)amino]benzoate (CID 110861759) is methyl 4-[(4-aminopyridine-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(4-aminopyridine-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-[(4-aminopyridine-3-carbonyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2cnccc2N)cc1.
What is the InChIKey of methyl 4-[(4-aminopyridine-3-carbonyl)amino]benzoate?
The InChIKey is ZKDIPQAEEGCBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-20-14(19)9-2-4-10(5-3-9)17-13(18)11-8-16-7-6-12(11)15/h2-8H,1H3,(H2,15,16)(H,17,18).
What are the key properties of methyl 4-[(4-aminopyridine-3-carbonyl)amino]benzoate?
methyl 4-[(4-aminopyridine-3-carbonyl)amino]benzoate has a molecular weight of 271.28 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-aminopyridine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 110861759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).