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

C13H12N4O3 — CID 104743784

IUPAC3-[(6-methyl-3-pyridinyl)carbamoylamino]pyridine-2-carboxylic acid
SMILESCc1ccc(NC(=O)Nc2cccnc2C(=O)O)cn1
InChIInChI=1S/C13H12N4O3/c1-8-4-5-9(7-15-8)16-13(20)17-10-3-2-6-14-11(10)12(18)19/h2-7H,1H3,(H,18,19)(H2,16,17,20)
InChIKeyGLZSGEDIJFXZRB-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.13
Rot. Bonds3

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

3-[(6-methyl-3-pyridinyl)carbamoylamino]pyridine-2-carboxylic acid (PubChem CID 104743784) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is 3-[(6-methyl-3-pyridinyl)carbamoylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(6-methyl-3-pyridinyl)carbamoylamino]pyridine-2-carboxylic acid
PubChem CID104743784
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name3-[(6-methyl-3-pyridinyl)carbamoylamino]pyridine-2-carboxylic acid
SMILESCc1ccc(NC(=O)Nc2cccnc2C(=O)O)cn1
InChIInChI=1S/C13H12N4O3/c1-8-4-5-9(7-15-8)16-13(20)17-10-3-2-6-14-11(10)12(18)19/h2-7H,1H3,(H,18,19)(H2,16,17,20)
InChIKeyGLZSGEDIJFXZRB-UHFFFAOYSA-N
XLogP2.13
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(pyridin-3-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743150
3-[(3,4-dimethylphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743195
1,3-bis(6-methyl-3-pyridinyl)urea
CID 102308841
3-[(4-methylsulfanylphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743166
1-(6-methyl-3-pyridinyl)-3-pyridin-3-ylurea
CID 108865035
3-(thiophen-3-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 113447923
3-[(3-fluoro-2-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743485
3-[(5-methylpyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 104740393
3-[(2-bromo-5-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743808
3-[(2,4-difluorophenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104740538
3-(2,3-dimethylbutanoylamino)pyridine-2-carboxylic acid
CID 104740180
3-[(2,6-dimethylpyridine-3-carbonyl)amino]pyridine-2-carboxylic acid
CID 104740370

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methyl-3-pyridinyl)carbamoylamino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(6-methyl-3-pyridinyl)carbamoylamino]pyridine-2-carboxylic acid (CID 104743784) is 3-[(6-methyl-3-pyridinyl)carbamoylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(6-methyl-3-pyridinyl)carbamoylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(6-methyl-3-pyridinyl)carbamoylamino]pyridine-2-carboxylic acid is Cc1ccc(NC(=O)Nc2cccnc2C(=O)O)cn1.
What is the InChIKey of 3-[(6-methyl-3-pyridinyl)carbamoylamino]pyridine-2-carboxylic acid?
The InChIKey is GLZSGEDIJFXZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c1-8-4-5-9(7-15-8)16-13(20)17-10-3-2-6-14-11(10)12(18)19/h2-7H,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 3-[(6-methyl-3-pyridinyl)carbamoylamino]pyridine-2-carboxylic acid?
3-[(6-methyl-3-pyridinyl)carbamoylamino]pyridine-2-carboxylic acid has a molecular weight of 272.26 g/mol, XLogP of 2.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methyl-3-pyridinyl)carbamoylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 104743784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).