4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid

C13H16N4O2 — CID 138595531

IUPAC4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1cnc2[nH]ccc2c1NC1CCCNC1
InChIInChI=1S/C13H16N4O2/c18-13(19)10-7-16-12-9(3-5-15-12)11(10)17-8-2-1-4-14-6-8/h3,5,7-8,14H,1-2,4,6H2,(H,18,19)(H2,15,16,17)
InChIKeyJKHYRYHIXQZEHV-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.42
Rot. Bonds3

About 4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid

4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid (PubChem CID 138595531) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
PubChem CID138595531
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1cnc2[nH]ccc2c1NC1CCCNC1
InChIInChI=1S/C13H16N4O2/c18-13(19)10-7-16-12-9(3-5-15-12)11(10)17-8-2-1-4-14-6-8/h3,5,7-8,14H,1-2,4,6H2,(H,18,19)(H2,15,16,17)
InChIKeyJKHYRYHIXQZEHV-UHFFFAOYSA-N
XLogP1.42
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride
CID 138595405
4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67518186
ethyl 4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;dihydrochloride
CID 163229869
2-methoxyethyl 4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;hydrochloride
CID 158558177
5-bromo-N-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 155253895
ethyl 4-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 138624616
4-[(4-hydroxycyclohexyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67278172
4-[[(1R,3R)-3-[tri(propan-2-yl)silyloxymethyl]cyclohexyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 67278383
4-[[(1R,3R)-3-carbamoylcyclohexyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 59291955
4-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67278426
4-[[1-(4-cyanophenyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 59292043
4-[(1,1-dioxothian-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67277869

Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid?
The IUPAC name of 4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid (CID 138595531) is 4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid?
The canonical SMILES for 4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid is O=C(O)c1cnc2[nH]ccc2c1NC1CCCNC1.
What is the InChIKey of 4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid?
The InChIKey is JKHYRYHIXQZEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c18-13(19)10-7-16-12-9(3-5-15-12)11(10)17-8-2-1-4-14-6-8/h3,5,7-8,14H,1-2,4,6H2,(H,18,19)(H2,15,16,17).
What are the key properties of 4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid?
4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid has a molecular weight of 260.30 g/mol, XLogP of 1.42, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 138595531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).