4-(8-azabicyclo[3.2.1]octan-8-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C15H19N5O — CID 155032652

IUPAC4-(8-azabicyclo[3.2.1]octan-8-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESNC(=O)c1cnc2[nH]ccc2c1NN1C2CCCC1CC2
InChIInChI=1S/C15H19N5O/c16-14(21)12-8-18-15-11(6-7-17-15)13(12)19-20-9-2-1-3-10(20)5-4-9/h6-10H,1-5H2,(H2,16,21)(H2,17,18,19)
InChIKeyMFQYHNLGLMCKAM-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.01
Rot. Bonds3

About 4-(8-azabicyclo[3.2.1]octan-8-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

4-(8-azabicyclo[3.2.1]octan-8-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 155032652) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-(8-azabicyclo[3.2.1]octan-8-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-(8-azabicyclo[3.2.1]octan-8-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID155032652
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name4-(8-azabicyclo[3.2.1]octan-8-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESNC(=O)c1cnc2[nH]ccc2c1NN1C2CCCC1CC2
InChIInChI=1S/C15H19N5O/c16-14(21)12-8-18-15-11(6-7-17-15)13(12)19-20-9-2-1-3-10(20)5-4-9/h6-10H,1-5H2,(H2,16,21)(H2,17,18,19)
InChIKeyMFQYHNLGLMCKAM-UHFFFAOYSA-N
XLogP2.01
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(8-azabicyclo[3.2.1]octan-8-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 4-(8-azabicyclo[3.2.1]octan-8-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 155032652) is 4-(8-azabicyclo[3.2.1]octan-8-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-(8-azabicyclo[3.2.1]octan-8-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 4-(8-azabicyclo[3.2.1]octan-8-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is NC(=O)c1cnc2[nH]ccc2c1NN1C2CCCC1CC2.
What is the InChIKey of 4-(8-azabicyclo[3.2.1]octan-8-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is MFQYHNLGLMCKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c16-14(21)12-8-18-15-11(6-7-17-15)13(12)19-20-9-2-1-3-10(20)5-4-9/h6-10H,1-5H2,(H2,16,21)(H2,17,18,19).
What are the key properties of 4-(8-azabicyclo[3.2.1]octan-8-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
4-(8-azabicyclo[3.2.1]octan-8-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.01, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-azabicyclo[3.2.1]octan-8-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 155032652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).