2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyridine-3-carboxylic acid

C14H12N4O2 — CID 69265593

IUPAC2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1NCc1c[nH]c2ncccc12
InChIInChI=1S/C14H12N4O2/c19-14(20)11-4-2-6-16-13(11)18-8-9-7-17-12-10(9)3-1-5-15-12/h1-7H,8H2,(H,15,17)(H,16,18)(H,19,20)
InChIKeyJNZAKCORKZZBGJ-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.27
Rot. Bonds4

About 2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyridine-3-carboxylic acid

2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyridine-3-carboxylic acid (PubChem CID 69265593) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyridine-3-carboxylic acid
PubChem CID69265593
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1NCc1c[nH]c2ncccc12
InChIInChI=1S/C14H12N4O2/c19-14(20)11-4-2-6-16-13(11)18-8-9-7-17-12-10(9)3-1-5-15-12/h1-7H,8H2,(H,15,17)(H,16,18)(H,19,20)
InChIKeyJNZAKCORKZZBGJ-UHFFFAOYSA-N
XLogP2.27
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methylamino]pyridine-3-carboxylic acid
CID 67086504
2-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)benzamide
CID 66416408
2-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylic acid
CID 62228145
N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrimidin-5-amine
CID 107587617
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
2,6-dichloro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66416280
2,6-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66414248
2-[(4-ethylphenyl)methylamino]pyridine-3-carboxylic acid
CID 106900004
2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-3-carboxylic acid
CID 167970694
N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-indole-4-carboxamide
CID 134794214
2-(2-oxopropylamino)pyridine-3-carboxylic acid
CID 89326661
N-[1-[(1R)-1-hydroxyethyl]-3,3-dimethyl-2H-indol-6-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 143447605

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyridine-3-carboxylic acid?
The IUPAC name of 2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyridine-3-carboxylic acid (CID 69265593) is 2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyridine-3-carboxylic acid is O=C(O)c1cccnc1NCc1c[nH]c2ncccc12.
What is the InChIKey of 2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyridine-3-carboxylic acid?
The InChIKey is JNZAKCORKZZBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c19-14(20)11-4-2-6-16-13(11)18-8-9-7-17-12-10(9)3-1-5-15-12/h1-7H,8H2,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyridine-3-carboxylic acid?
2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyridine-3-carboxylic acid has a molecular weight of 268.28 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 69265593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).