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

C28H25N7O2 — CID 147751869

IUPAC4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-benzyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1ccc(-c2cc(-c3ccnc4[nH]c(C(=O)NCc5ccccc5)cc34)cnc2N)nc1
InChIInChI=1S/C28H25N7O2/c1-35(2)28(37)18-8-9-23(31-15-18)22-12-19(16-32-25(22)29)20-10-11-30-26-21(20)13-24(34-26)27(36)33-14-17-6-4-3-5-7-17/h3-13,15-16H,14H2,1-2H3,(H2,29,32)(H,30,34)(H,33,36)
InChIKeyHCIWZRDZXHKJFH-UHFFFAOYSA-N
MW491.56 g/mol
LogP3.90
Rot. Bonds6

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

4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-benzyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 147751869) has the molecular formula C28H25N7O2 and a molecular weight of 491.56 g/mol. Its IUPAC name is 4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-benzyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-benzyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID147751869
Molecular FormulaC28H25N7O2
Molecular Weight491.56 g/mol
Exact Mass491.21
IUPAC Name4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-benzyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1ccc(-c2cc(-c3ccnc4[nH]c(C(=O)NCc5ccccc5)cc34)cnc2N)nc1
InChIInChI=1S/C28H25N7O2/c1-35(2)28(37)18-8-9-23(31-15-18)22-12-19(16-32-25(22)29)20-10-11-30-26-21(20)13-24(34-26)27(36)33-14-17-6-4-3-5-7-17/h3-13,15-16H,14H2,1-2H3,(H2,29,32)(H,30,34)(H,33,36)
InChIKeyHCIWZRDZXHKJFH-UHFFFAOYSA-N
XLogP3.90
TPSA129.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.56
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-benzyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 155210718
6-[2-amino-5-[2-(pyrrolidine-1-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide
CID 148917248
6-[2-amino-5-[2-(morpholine-4-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide
CID 147924064
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
4-(3-amino-1H-indazol-5-yl)-N-[3-(dimethylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 170351912
6-[2-amino-5-[1-(2-methylpropyl)pyrrol-3-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide
CID 150933568
2-amino-N-benzylpyridine-4-carboxamide
CID 18752897
6-amino-N-benzyl-5-chloropyridine-3-carboxamide
CID 62153073
3-[5-amino-6-[4-(dimethylamino)benzoyl]pyrazin-2-yl]-N-benzylbenzamide
CID 68651666
4-[2-amino-5-[1-(2-methoxyethyl)pyrazol-4-yl]-3-pyridinyl]-N-benzylbenzamide
CID 134503968
4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 82376068

Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-benzyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-benzyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 147751869) is 4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-benzyl-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-benzyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-benzyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is CN(C)C(=O)c1ccc(-c2cc(-c3ccnc4[nH]c(C(=O)NCc5ccccc5)cc34)cnc2N)nc1.
What is the InChIKey of 4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-benzyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is HCIWZRDZXHKJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N7O2/c1-35(2)28(37)18-8-9-23(31-15-18)22-12-19(16-32-25(22)29)20-10-11-30-26-21(20)13-24(34-26)27(36)33-14-17-6-4-3-5-7-17/h3-13,15-16H,14H2,1-2H3,(H2,29,32)(H,30,34)(H,33,36).
What are the key properties of 4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-benzyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-benzyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 491.56 g/mol, XLogP of 3.90, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-benzyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 147751869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).