4-(pyridin-3-ylamino)pyridine-2-carboxylic acid

C11H9N3O2 — CID 43143000

IUPAC4-(pyridin-3-ylamino)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(Nc2cccnc2)ccn1
InChIInChI=1S/C11H9N3O2/c15-11(16)10-6-8(3-5-13-10)14-9-2-1-4-12-7-9/h1-7H,(H,13,14)(H,15,16)
InChIKeyYTNBDLAUSXRNEY-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.92
Rot. Bonds3

About 4-(pyridin-3-ylamino)pyridine-2-carboxylic acid

4-(pyridin-3-ylamino)pyridine-2-carboxylic acid (PubChem CID 43143000) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 4-(pyridin-3-ylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(pyridin-3-ylamino)pyridine-2-carboxylic acid
PubChem CID43143000
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name4-(pyridin-3-ylamino)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(Nc2cccnc2)ccn1
InChIInChI=1S/C11H9N3O2/c15-11(16)10-6-8(3-5-13-10)14-9-2-1-4-12-7-9/h1-7H,(H,13,14)(H,15,16)
InChIKeyYTNBDLAUSXRNEY-UHFFFAOYSA-N
XLogP1.92
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(pyridin-3-ylamino)benzoic acid
CID 62231528
2-fluoro-5-(pyridin-3-ylamino)benzoic acid
CID 82537495
3-[(2-carbamoyl-4-pyridinyl)amino]benzoic acid
CID 43517510
4-(2,4,5-trichloroanilino)pyridine-2-carboxylic acid
CID 43326079
2-(oxaloamino)-4-(pyridin-3-ylamino)benzoic acid
CID 70244357
4-(4-ethoxyanilino)pyridine-2-carboxylic acid
CID 43326061
4-(3,4,5-trimethoxyanilino)pyridine-2-carboxylic acid
CID 146673906
4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxylic acid
CID 63180412
N-(3,4-dimethylphenyl)pyridin-3-amine
CID 82537517
4-(pyridine-4-carbonylamino)pyridine-2-carboxylic acid
CID 63651530
2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylic acid
CID 80570815
4-(3-chloro-2-fluoroanilino)pyridine-2-carboxylic acid
CID 43326161

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-3-ylamino)pyridine-2-carboxylic acid?
The IUPAC name of 4-(pyridin-3-ylamino)pyridine-2-carboxylic acid (CID 43143000) is 4-(pyridin-3-ylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(pyridin-3-ylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(pyridin-3-ylamino)pyridine-2-carboxylic acid is O=C(O)c1cc(Nc2cccnc2)ccn1.
What is the InChIKey of 4-(pyridin-3-ylamino)pyridine-2-carboxylic acid?
The InChIKey is YTNBDLAUSXRNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c15-11(16)10-6-8(3-5-13-10)14-9-2-1-4-12-7-9/h1-7H,(H,13,14)(H,15,16).
What are the key properties of 4-(pyridin-3-ylamino)pyridine-2-carboxylic acid?
4-(pyridin-3-ylamino)pyridine-2-carboxylic acid has a molecular weight of 215.21 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-3-ylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 43143000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).