6-[(3-methoxyphenyl)carbamoylamino]pyridine-2-carboxylic acid

C14H13N3O4 — CID 63642574

IUPAC6-[(3-methoxyphenyl)carbamoylamino]pyridine-2-carboxylic acid
SMILESCOc1cccc(NC(=O)Nc2cccc(C(=O)O)n2)c1
InChIInChI=1S/C14H13N3O4/c1-21-10-5-2-4-9(8-10)15-14(20)17-12-7-3-6-11(16-12)13(18)19/h2-8H,1H3,(H,18,19)(H2,15,16,17,20)
InChIKeyVQILFNZQGNWTBC-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.43
Rot. Bonds4

About 6-[(3-methoxyphenyl)carbamoylamino]pyridine-2-carboxylic acid

6-[(3-methoxyphenyl)carbamoylamino]pyridine-2-carboxylic acid (PubChem CID 63642574) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 6-[(3-methoxyphenyl)carbamoylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(3-methoxyphenyl)carbamoylamino]pyridine-2-carboxylic acid
PubChem CID63642574
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name6-[(3-methoxyphenyl)carbamoylamino]pyridine-2-carboxylic acid
SMILESCOc1cccc(NC(=O)Nc2cccc(C(=O)O)n2)c1
InChIInChI=1S/C14H13N3O4/c1-21-10-5-2-4-9(8-10)15-14(20)17-12-7-3-6-11(16-12)13(18)19/h2-8H,1H3,(H,18,19)(H2,15,16,17,20)
InChIKeyVQILFNZQGNWTBC-UHFFFAOYSA-N
XLogP2.43
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
4-[(3-methoxyphenyl)carbamoylamino]benzoic acid
CID 4286151
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
6-N-(3-methoxyphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099989
6-(4-methoxyanilino)pyridine-2-carboxylic acid
CID 55053217
1-(3-methoxyphenyl)-3-(4-methyl-2-pyridinyl)urea
CID 6464398
1-(3,4-diaminophenyl)-3-(3-methoxyphenyl)urea
CID 155694037
1-(3-methoxyphenyl)-3-pyrimidin-2-ylurea
CID 108869136
1-(3,5-dihydroxyphenyl)-3-(3-methoxyphenyl)urea
CID 108895444
1-(3-methoxy-4-phenoxyphenyl)-3-(3-methoxyphenyl)urea
CID 139434076
1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)urea
CID 121082502
1-cyano-3-(3-methoxyphenyl)urea
CID 22351200

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methoxyphenyl)carbamoylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(3-methoxyphenyl)carbamoylamino]pyridine-2-carboxylic acid (CID 63642574) is 6-[(3-methoxyphenyl)carbamoylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(3-methoxyphenyl)carbamoylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(3-methoxyphenyl)carbamoylamino]pyridine-2-carboxylic acid is COc1cccc(NC(=O)Nc2cccc(C(=O)O)n2)c1.
What is the InChIKey of 6-[(3-methoxyphenyl)carbamoylamino]pyridine-2-carboxylic acid?
The InChIKey is VQILFNZQGNWTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-21-10-5-2-4-9(8-10)15-14(20)17-12-7-3-6-11(16-12)13(18)19/h2-8H,1H3,(H,18,19)(H2,15,16,17,20).
What are the key properties of 6-[(3-methoxyphenyl)carbamoylamino]pyridine-2-carboxylic acid?
6-[(3-methoxyphenyl)carbamoylamino]pyridine-2-carboxylic acid has a molecular weight of 287.28 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methoxyphenyl)carbamoylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 63642574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).