4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C15H18N4O — CID 69046862

IUPAC4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C15H18N4O/c16-14(20)11-7-18-15-10(3-4-17-15)13(11)19-12-6-8-1-2-9(12)5-8/h3-4,7-9,12H,1-2,5-6H2,(H2,16,20)(H2,17,18,19)/t8-,9+,12+/m0/s1
InChIKeyCSAPHEIHSQPMAC-YGOYTEALSA-N
MW270.34 g/mol
LogP2.26
Rot. Bonds3

About 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 69046862) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID69046862
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C15H18N4O/c16-14(20)11-7-18-15-10(3-4-17-15)13(11)19-12-6-8-1-2-9(12)5-8/h3-4,7-9,12H,1-2,5-6H2,(H2,16,20)(H2,17,18,19)/t8-,9+,12+/m0/s1
InChIKeyCSAPHEIHSQPMAC-YGOYTEALSA-N
XLogP2.26
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 69046862) is 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is CSAPHEIHSQPMAC-YGOYTEALSA-N. The full InChI is InChI=1S/C15H18N4O/c16-14(20)11-7-18-15-10(3-4-17-15)13(11)19-12-6-8-1-2-9(12)5-8/h3-4,7-9,12H,1-2,5-6H2,(H2,16,20)(H2,17,18,19)/t8-,9+,12+/m0/s1.
What are the key properties of 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 2.26, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 69046862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).