7-[(5-cyano-2-adamantyl)amino]-3H-pyrrolo[3,2-b]pyridine-6-carboxamide

C19H21N5O — CID 58146765

IUPAC7-[(5-cyano-2-adamantyl)amino]-3H-pyrrolo[3,2-b]pyridine-6-carboxamide
SMILESN#CC12CC3CC(C1)C(Nc1c(C(N)=O)cnc4c1N=CC4)C(C3)C2
InChIInChI=1S/C19H21N5O/c20-9-19-5-10-3-11(6-19)15(12(4-10)7-19)24-16-13(18(21)25)8-23-14-1-2-22-17(14)16/h2,8,10-12,15H,1,3-7H2,(H2,21,25)(H,23,24)
InChIKeyOTCWFKRBGQNBBZ-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.57
Rot. Bonds3

About 7-[(5-cyano-2-adamantyl)amino]-3H-pyrrolo[3,2-b]pyridine-6-carboxamide

7-[(5-cyano-2-adamantyl)amino]-3H-pyrrolo[3,2-b]pyridine-6-carboxamide (PubChem CID 58146765) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 7-[(5-cyano-2-adamantyl)amino]-3H-pyrrolo[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name7-[(5-cyano-2-adamantyl)amino]-3H-pyrrolo[3,2-b]pyridine-6-carboxamide
PubChem CID58146765
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name7-[(5-cyano-2-adamantyl)amino]-3H-pyrrolo[3,2-b]pyridine-6-carboxamide
SMILESN#CC12CC3CC(C1)C(Nc1c(C(N)=O)cnc4c1N=CC4)C(C3)C2
InChIInChI=1S/C19H21N5O/c20-9-19-5-10-3-11(6-19)15(12(4-10)7-19)24-16-13(18(21)25)8-23-14-1-2-22-17(14)16/h2,8,10-12,15H,1,3-7H2,(H2,21,25)(H,23,24)
InChIKeyOTCWFKRBGQNBBZ-UHFFFAOYSA-N
XLogP2.57
TPSA104.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-[(5-fluoro-2-adamantyl)amino]-3H-pyrrolo[3,2-b]pyridine-6-carboxamide
CID 58146802
7-[[(1R,3S)-5-bromo-2-adamantyl]amino]-3H-pyrrolo[3,2-b]pyridine-6-carboxylic acid
CID 58146642
4-[(5-hydroxy-2-adamantyl)amino]-7H-cyclopenta[b]pyridine-3-carboxamide
CID 76659220
4-[[5-(3-cyanoazetidine-1-carbonyl)-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide
CID 58146810
4-[[(1R,3S)-5-bromo-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide
CID 58146299
4-[[5-(2-cyanoethoxy)-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 66924315
4-[[(1S,3R)-5-hydroxy-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;hydrochloride
CID 67998252
4-[[(1R,2R,3R,4R,5S)-4-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide
CID 123749490
4-[(5-hydroxy-2-adamantyl)amino]-1-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 164744203
benzyl 4-[[5-(2-cyanoethoxy)-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxylate
CID 58146771
N-(5-cyano-2-adamantyl)-7-(methoxymethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 127040450
4-[[5-(2-cyanoethoxy)-2-adamantyl]amino]-6-(pyrazin-2-ylamino)pyridine-3-carboxamide
CID 77274405

Frequently Asked Questions

What is the IUPAC name of 7-[(5-cyano-2-adamantyl)amino]-3H-pyrrolo[3,2-b]pyridine-6-carboxamide?
The IUPAC name of 7-[(5-cyano-2-adamantyl)amino]-3H-pyrrolo[3,2-b]pyridine-6-carboxamide (CID 58146765) is 7-[(5-cyano-2-adamantyl)amino]-3H-pyrrolo[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for 7-[(5-cyano-2-adamantyl)amino]-3H-pyrrolo[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for 7-[(5-cyano-2-adamantyl)amino]-3H-pyrrolo[3,2-b]pyridine-6-carboxamide is N#CC12CC3CC(C1)C(Nc1c(C(N)=O)cnc4c1N=CC4)C(C3)C2.
What is the InChIKey of 7-[(5-cyano-2-adamantyl)amino]-3H-pyrrolo[3,2-b]pyridine-6-carboxamide?
The InChIKey is OTCWFKRBGQNBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c20-9-19-5-10-3-11(6-19)15(12(4-10)7-19)24-16-13(18(21)25)8-23-14-1-2-22-17(14)16/h2,8,10-12,15H,1,3-7H2,(H2,21,25)(H,23,24).
What are the key properties of 7-[(5-cyano-2-adamantyl)amino]-3H-pyrrolo[3,2-b]pyridine-6-carboxamide?
7-[(5-cyano-2-adamantyl)amino]-3H-pyrrolo[3,2-b]pyridine-6-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-cyano-2-adamantyl)amino]-3H-pyrrolo[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 58146765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).