N-(2-methoxycyclohexa-2,4-dien-1-yl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine

C14H17N3O — CID 71085083

IUPACN-(2-methoxycyclohexa-2,4-dien-1-yl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCOC1=CC=CCC1NC1CC=c2cc[nH]c2=N1
InChIInChI=1S/C14H17N3O/c1-18-12-5-3-2-4-11(12)16-13-7-6-10-8-9-15-14(10)17-13/h2-3,5-6,8-9,11,13,16H,4,7H2,1H3,(H,15,17)
InChIKeyRQVKFSPOXDYCCG-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.59
Rot. Bonds3

About N-(2-methoxycyclohexa-2,4-dien-1-yl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine

N-(2-methoxycyclohexa-2,4-dien-1-yl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 71085083) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(2-methoxycyclohexa-2,4-dien-1-yl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound NameN-(2-methoxycyclohexa-2,4-dien-1-yl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID71085083
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-(2-methoxycyclohexa-2,4-dien-1-yl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCOC1=CC=CCC1NC1CC=c2cc[nH]c2=N1
InChIInChI=1S/C14H17N3O/c1-18-12-5-3-2-4-11(12)16-13-7-6-10-8-9-15-14(10)17-13/h2-3,5-6,8-9,11,13,16H,4,7H2,1H3,(H,15,17)
InChIKeyRQVKFSPOXDYCCG-UHFFFAOYSA-N
XLogP0.59
TPSA49.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxycyclohexa-2,4-dien-1-yl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of N-(2-methoxycyclohexa-2,4-dien-1-yl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 71085083) is N-(2-methoxycyclohexa-2,4-dien-1-yl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for N-(2-methoxycyclohexa-2,4-dien-1-yl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for N-(2-methoxycyclohexa-2,4-dien-1-yl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine is COC1=CC=CCC1NC1CC=c2cc[nH]c2=N1.
What is the InChIKey of N-(2-methoxycyclohexa-2,4-dien-1-yl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is RQVKFSPOXDYCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-18-12-5-3-2-4-11(12)16-13-7-6-10-8-9-15-14(10)17-13/h2-3,5-6,8-9,11,13,16H,4,7H2,1H3,(H,15,17).
What are the key properties of N-(2-methoxycyclohexa-2,4-dien-1-yl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine?
N-(2-methoxycyclohexa-2,4-dien-1-yl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 243.31 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxycyclohexa-2,4-dien-1-yl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 71085083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).