3-(pyridin-3-ylcarbamoylamino)pyridine-2-carboxylic acid

C12H10N4O3 — CID 104743150

IUPAC3-(pyridin-3-ylcarbamoylamino)pyridine-2-carboxylic acid
SMILESO=C(Nc1cccnc1)Nc1cccnc1C(=O)O
InChIInChI=1S/C12H10N4O3/c17-11(18)10-9(4-2-6-14-10)16-12(19)15-8-3-1-5-13-7-8/h1-7H,(H,17,18)(H2,15,16,19)
InChIKeyTUOSTACBKWDDDN-UHFFFAOYSA-N
MW258.24 g/mol
LogP1.82
Rot. Bonds3

About 3-(pyridin-3-ylcarbamoylamino)pyridine-2-carboxylic acid

3-(pyridin-3-ylcarbamoylamino)pyridine-2-carboxylic acid (PubChem CID 104743150) has the molecular formula C12H10N4O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is 3-(pyridin-3-ylcarbamoylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(pyridin-3-ylcarbamoylamino)pyridine-2-carboxylic acid
PubChem CID104743150
Molecular FormulaC12H10N4O3
Molecular Weight258.24 g/mol
Exact Mass258.08
IUPAC Name3-(pyridin-3-ylcarbamoylamino)pyridine-2-carboxylic acid
SMILESO=C(Nc1cccnc1)Nc1cccnc1C(=O)O
InChIInChI=1S/C12H10N4O3/c17-11(18)10-9(4-2-6-14-10)16-12(19)15-8-3-1-5-13-7-8/h1-7H,(H,17,18)(H2,15,16,19)
InChIKeyTUOSTACBKWDDDN-UHFFFAOYSA-N
XLogP1.82
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-methyl-3-pyridinyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743784
3-(thiophen-3-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 113447923
3-[(3,4-dimethylphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743195
3-[(4-methylsulfanylphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743166
1-(2,3-dichlorophenyl)-3-pyridin-3-ylurea
CID 51062925
1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea
CID 23996528
1-(2,4-dichlorophenyl)-3-pyridin-3-ylurea
CID 3994543
3-(1,3-thiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 113447865
3-(1,3,4-thiadiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 113447864
1-(6-methyl-3-pyridinyl)-3-pyridin-3-ylurea
CID 108865035
4-(pyridin-3-ylcarbamoylamino)benzamide
CID 47129704
3-[(2,4-difluorophenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104740538

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-3-ylcarbamoylamino)pyridine-2-carboxylic acid?
The IUPAC name of 3-(pyridin-3-ylcarbamoylamino)pyridine-2-carboxylic acid (CID 104743150) is 3-(pyridin-3-ylcarbamoylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(pyridin-3-ylcarbamoylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(pyridin-3-ylcarbamoylamino)pyridine-2-carboxylic acid is O=C(Nc1cccnc1)Nc1cccnc1C(=O)O.
What is the InChIKey of 3-(pyridin-3-ylcarbamoylamino)pyridine-2-carboxylic acid?
The InChIKey is TUOSTACBKWDDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3/c17-11(18)10-9(4-2-6-14-10)16-12(19)15-8-3-1-5-13-7-8/h1-7H,(H,17,18)(H2,15,16,19).
What are the key properties of 3-(pyridin-3-ylcarbamoylamino)pyridine-2-carboxylic acid?
3-(pyridin-3-ylcarbamoylamino)pyridine-2-carboxylic acid has a molecular weight of 258.24 g/mol, XLogP of 1.82, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-3-ylcarbamoylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 104743150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).