5-ethyl-N-[(1S,3S)-3-methylcyclohexyl]-1H-pyrrolo[2,3-b]pyridin-4-amine

C16H23N3 — CID 159825842

IUPAC5-ethyl-N-[(1S,3S)-3-methylcyclohexyl]-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCCc1cnc2[nH]ccc2c1N[C@H]1CCC[C@H](C)C1
InChIInChI=1S/C16H23N3/c1-3-12-10-18-16-14(7-8-17-16)15(12)19-13-6-4-5-11(2)9-13/h7-8,10-11,13H,3-6,9H2,1-2H3,(H2,17,18,19)/t11-,13-/m0/s1
InChIKeyGJWGLZKAZYWQFD-AAEUAGOBSA-N
MW257.38 g/mol
LogP4.12
Rot. Bonds3

About 5-ethyl-N-[(1S,3S)-3-methylcyclohexyl]-1H-pyrrolo[2,3-b]pyridin-4-amine

5-ethyl-N-[(1S,3S)-3-methylcyclohexyl]-1H-pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 159825842) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 5-ethyl-N-[(1S,3S)-3-methylcyclohexyl]-1H-pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name5-ethyl-N-[(1S,3S)-3-methylcyclohexyl]-1H-pyrrolo[2,3-b]pyridin-4-amine
PubChem CID159825842
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name5-ethyl-N-[(1S,3S)-3-methylcyclohexyl]-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCCc1cnc2[nH]ccc2c1N[C@H]1CCC[C@H](C)C1
InChIInChI=1S/C16H23N3/c1-3-12-10-18-16-14(7-8-17-16)15(12)19-13-6-4-5-11(2)9-13/h7-8,10-11,13H,3-6,9H2,1-2H3,(H2,17,18,19)/t11-,13-/m0/s1
InChIKeyGJWGLZKAZYWQFD-AAEUAGOBSA-N
XLogP4.12
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(1S,3S)-3-methylcyclohexyl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of 5-ethyl-N-[(1S,3S)-3-methylcyclohexyl]-1H-pyrrolo[2,3-b]pyridin-4-amine (CID 159825842) is 5-ethyl-N-[(1S,3S)-3-methylcyclohexyl]-1H-pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for 5-ethyl-N-[(1S,3S)-3-methylcyclohexyl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for 5-ethyl-N-[(1S,3S)-3-methylcyclohexyl]-1H-pyrrolo[2,3-b]pyridin-4-amine is CCc1cnc2[nH]ccc2c1N[C@H]1CCC[C@H](C)C1.
What is the InChIKey of 5-ethyl-N-[(1S,3S)-3-methylcyclohexyl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is GJWGLZKAZYWQFD-AAEUAGOBSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-12-10-18-16-14(7-8-17-16)15(12)19-13-6-4-5-11(2)9-13/h7-8,10-11,13H,3-6,9H2,1-2H3,(H2,17,18,19)/t11-,13-/m0/s1.
What are the key properties of 5-ethyl-N-[(1S,3S)-3-methylcyclohexyl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
5-ethyl-N-[(1S,3S)-3-methylcyclohexyl]-1H-pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 257.38 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(1S,3S)-3-methylcyclohexyl]-1H-pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 159825842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).