4-[(1-methoxy-4-tricyclo[3.3.1.02,7]non-2-enyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C18H20N4O2 — CID 70792274

IUPAC4-[(1-methoxy-4-tricyclo[3.3.1.02,7]non-2-enyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCOC12CC3CC(C1)C(Nc1c(C(N)=O)cnc4[nH]ccc14)C=C32
InChIInChI=1S/C18H20N4O2/c1-24-18-6-9-4-10(7-18)14(5-13(9)18)22-15-11-2-3-20-17(11)21-8-12(15)16(19)23/h2-3,5,8-10,14H,4,6-7H2,1H3,(H2,19,23)(H2,20,21,22)
InChIKeyJJNMJWHUXJIKKN-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.20
Rot. Bonds4

About 4-[(1-methoxy-4-tricyclo[3.3.1.02,7]non-2-enyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

4-[(1-methoxy-4-tricyclo[3.3.1.02,7]non-2-enyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 70792274) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-[(1-methoxy-4-tricyclo[3.3.1.02,7]non-2-enyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-[(1-methoxy-4-tricyclo[3.3.1.02,7]non-2-enyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID70792274
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name4-[(1-methoxy-4-tricyclo[3.3.1.02,7]non-2-enyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCOC12CC3CC(C1)C(Nc1c(C(N)=O)cnc4[nH]ccc14)C=C32
InChIInChI=1S/C18H20N4O2/c1-24-18-6-9-4-10(7-18)14(5-13(9)18)22-15-11-2-3-20-17(11)21-8-12(15)16(19)23/h2-3,5,8-10,14H,4,6-7H2,1H3,(H2,19,23)(H2,20,21,22)
InChIKeyJJNMJWHUXJIKKN-UHFFFAOYSA-N
XLogP2.20
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[[(1S,3R)-5-hydroxy-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;hydrochloride
CID 67998252
4-[(5-hydroxy-2-tricyclo[3.3.0.03,7]octanyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 155177696
4-[(4-hydroxycyclohexyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67278172
4-[[(1R,3R)-3-carbamoylcyclohexyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 59291955
4-[(1,1-dioxothian-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67277869
4-[[(1R,3R)-3-(hydroxymethyl)cyclohexyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 59291978
methyl 4-[(5-methyl-2-adamantyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 157468591
4-[[(1R,5S)-8-(2,2-dimethylpropanoyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 70792176
4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67518186
methyl 4-[(1R,5S)-3-[(5-carbamoyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]-8-azabicyclo[3.2.1]octane-8-carbonyl]benzoate
CID 70792225
4-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67278426
4-[[5-(2-cyanoethoxy)-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 66924315

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methoxy-4-tricyclo[3.3.1.02,7]non-2-enyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 4-[(1-methoxy-4-tricyclo[3.3.1.02,7]non-2-enyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 70792274) is 4-[(1-methoxy-4-tricyclo[3.3.1.02,7]non-2-enyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-[(1-methoxy-4-tricyclo[3.3.1.02,7]non-2-enyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 4-[(1-methoxy-4-tricyclo[3.3.1.02,7]non-2-enyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is COC12CC3CC(C1)C(Nc1c(C(N)=O)cnc4[nH]ccc14)C=C32.
What is the InChIKey of 4-[(1-methoxy-4-tricyclo[3.3.1.02,7]non-2-enyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is JJNMJWHUXJIKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-24-18-6-9-4-10(7-18)14(5-13(9)18)22-15-11-2-3-20-17(11)21-8-12(15)16(19)23/h2-3,5,8-10,14H,4,6-7H2,1H3,(H2,19,23)(H2,20,21,22).
What are the key properties of 4-[(1-methoxy-4-tricyclo[3.3.1.02,7]non-2-enyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
4-[(1-methoxy-4-tricyclo[3.3.1.02,7]non-2-enyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methoxy-4-tricyclo[3.3.1.02,7]non-2-enyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 70792274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).