4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C27H24N8O2 — CID 155210718

IUPAC4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1ccc(-c2cc(-c3ccnc4[nH]c(C(=O)NCc5cccnc5)cc34)cnc2N)nc1
InChIInChI=1S/C27H24N8O2/c1-35(2)27(37)17-5-6-22(31-14-17)21-10-18(15-32-24(21)28)19-7-9-30-25-20(19)11-23(34-25)26(36)33-13-16-4-3-8-29-12-16/h3-12,14-15H,13H2,1-2H3,(H2,28,32)(H,30,34)(H,33,36)
InChIKeyGPAKAAMTJHTAED-UHFFFAOYSA-N
MW492.54 g/mol
LogP3.30
Rot. Bonds6

About 4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 155210718) has the molecular formula C27H24N8O2 and a molecular weight of 492.54 g/mol. Its IUPAC name is 4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID155210718
Molecular FormulaC27H24N8O2
Molecular Weight492.54 g/mol
Exact Mass492.20
IUPAC Name4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1ccc(-c2cc(-c3ccnc4[nH]c(C(=O)NCc5cccnc5)cc34)cnc2N)nc1
InChIInChI=1S/C27H24N8O2/c1-35(2)27(37)17-5-6-22(31-14-17)21-10-18(15-32-24(21)28)19-7-9-30-25-20(19)11-23(34-25)26(36)33-13-16-4-3-8-29-12-16/h3-12,14-15H,13H2,1-2H3,(H2,28,32)(H,30,34)(H,33,36)
InChIKeyGPAKAAMTJHTAED-UHFFFAOYSA-N
XLogP3.30
TPSA142.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.54
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-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-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-benzyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 147751869
6-[2-amino-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide
CID 142612752
6-[2-amino-5-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide
CID 147113539
6-(2-fluoro-4-methylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 153360760
4-(3-amino-1H-indazol-5-yl)-N-[3-(dimethylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 170351912
4-methoxy-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
CID 4910202
6-[4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 164884723
6-[2-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 153360908
6-bromo-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 66463466
N-[(3-fluorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 71841647
2-(3-acetylphenyl)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 117089751
2-oxo-4-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrimidine-6-carboxamide
CID 110332451

Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 155210718) is 4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is CN(C)C(=O)c1ccc(-c2cc(-c3ccnc4[nH]c(C(=O)NCc5cccnc5)cc34)cnc2N)nc1.
What is the InChIKey of 4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is GPAKAAMTJHTAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N8O2/c1-35(2)27(37)17-5-6-22(31-14-17)21-10-18(15-32-24(21)28)19-7-9-30-25-20(19)11-23(34-25)26(36)33-13-16-4-3-8-29-12-16/h3-12,14-15H,13H2,1-2H3,(H2,28,32)(H,30,34)(H,33,36).
What are the key properties of 4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 492.54 g/mol, XLogP of 3.30, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 155210718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).