N-[(4-cyanophenyl)methyl]-4-[(5-hydroxy-2-adamantyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C26H27N5O2 — CID 70792178

IUPACN-[(4-cyanophenyl)methyl]-4-[(5-hydroxy-2-adamantyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESN#Cc1ccc(CNC(=O)c2cnc3[nH]ccc3c2NC2C3CC4CC2CC(O)(C4)C3)cc1
InChIInChI=1S/C26H27N5O2/c27-12-15-1-3-16(4-2-15)13-30-25(32)21-14-29-24-20(5-6-28-24)23(21)31-22-18-7-17-8-19(22)11-26(33,9-17)10-18/h1-6,14,17-19,22,33H,7-11,13H2,(H,30,32)(H2,28,29,31)
InChIKeyXDKDQTPWUGXEBP-UHFFFAOYSA-N
MW441.54 g/mol
LogP3.72
Rot. Bonds5

About N-[(4-cyanophenyl)methyl]-4-[(5-hydroxy-2-adamantyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

N-[(4-cyanophenyl)methyl]-4-[(5-hydroxy-2-adamantyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 70792178) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-4-[(5-hydroxy-2-adamantyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-4-[(5-hydroxy-2-adamantyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID70792178
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC NameN-[(4-cyanophenyl)methyl]-4-[(5-hydroxy-2-adamantyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESN#Cc1ccc(CNC(=O)c2cnc3[nH]ccc3c2NC2C3CC4CC2CC(O)(C4)C3)cc1
InChIInChI=1S/C26H27N5O2/c27-12-15-1-3-16(4-2-15)13-30-25(32)21-14-29-24-20(5-6-28-24)23(21)31-22-18-7-17-8-19(22)11-26(33,9-17)10-18/h1-6,14,17-19,22,33H,7-11,13H2,(H,30,32)(H2,28,29,31)
InChIKeyXDKDQTPWUGXEBP-UHFFFAOYSA-N
XLogP3.72
TPSA113.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 53.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[(4-cyanophenyl)methyl]-4-[(5-hydroxy-2-adamantyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-adamantyl)amino]-N-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 70792279
4-[[5-(nitrosomethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]adamantan-1-ol
CID 90743712
[(Z)-1-aminoethylideneamino] 4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 87206460
methyl 4-[(5-methyl-2-adamantyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 157468591
N-(2-amino-2-methylpropyl)-4-[(5-hydroxy-2-adamantyl)amino]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 70795959
N-methyl-4-[[(2R,4R)-2-methylpiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 167167182
4-[[1-(4-cyanophenyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 59292043
4-[[(2S,4S)-1-[(6-cyano-3-pyridinyl)methyl]-2-methylpiperidin-4-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 167089567
4-[(3,3-difluoropiperidin-4-yl)amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 164818371
N-[(4-cyanophenyl)methyl]-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69007349
4-[(5-hydroxy-2-tricyclo[3.3.0.03,7]octanyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 155177696

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-4-[(5-hydroxy-2-adamantyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-4-[(5-hydroxy-2-adamantyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 70792178) is N-[(4-cyanophenyl)methyl]-4-[(5-hydroxy-2-adamantyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-4-[(5-hydroxy-2-adamantyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-4-[(5-hydroxy-2-adamantyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is N#Cc1ccc(CNC(=O)c2cnc3[nH]ccc3c2NC2C3CC4CC2CC(O)(C4)C3)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-4-[(5-hydroxy-2-adamantyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is XDKDQTPWUGXEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c27-12-15-1-3-16(4-2-15)13-30-25(32)21-14-29-24-20(5-6-28-24)23(21)31-22-18-7-17-8-19(22)11-26(33,9-17)10-18/h1-6,14,17-19,22,33H,7-11,13H2,(H,30,32)(H2,28,29,31).
What are the key properties of N-[(4-cyanophenyl)methyl]-4-[(5-hydroxy-2-adamantyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
N-[(4-cyanophenyl)methyl]-4-[(5-hydroxy-2-adamantyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 441.54 g/mol, XLogP of 3.72, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-4-[(5-hydroxy-2-adamantyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 70792178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).