N,1-dimethyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide

C22H28N4O — CID 166621002

IUPACN,1-dimethyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCN(Cc1ccccc1CN1CCCC1)C(=O)c1ccc2c(n1)N(C)CC2
InChIInChI=1S/C22H28N4O/c1-24-14-11-17-9-10-20(23-21(17)24)22(27)25(2)15-18-7-3-4-8-19(18)16-26-12-5-6-13-26/h3-4,7-10H,5-6,11-16H2,1-2H3
InChIKeyVLZFFWFZFNFXQZ-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.94
Rot. Bonds5

About N,1-dimethyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide

N,1-dimethyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide (PubChem CID 166621002) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is N,1-dimethyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide
PubChem CID166621002
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC NameN,1-dimethyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCN(Cc1ccccc1CN1CCCC1)C(=O)c1ccc2c(n1)N(C)CC2
InChIInChI=1S/C22H28N4O/c1-24-14-11-17-9-10-20(23-21(17)24)22(27)25(2)15-18-7-3-4-8-19(18)16-26-12-5-6-13-26/h3-4,7-10H,5-6,11-16H2,1-2H3
InChIKeyVLZFFWFZFNFXQZ-UHFFFAOYSA-N
XLogP2.94
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,1-dimethyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-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

N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 77078750
6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 113323599
2-[2-(pyrrolidin-1-ylmethyl)phenyl]acetic acid
CID 59166357
1-[4-methyl-2-[methyl-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone
CID 135113871
1-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide
CID 156583563
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-(piperidin-1-ylmethyl)benzamide
CID 46977871
1-(2-ethylpyrimidin-4-yl)-N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine
CID 77090196
3-amino-2-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 120502633
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 126786340
N-[[2-(aminomethyl)phenyl]methyl]-N-methylpyridine-2-carboxamide
CID 54939155
N-[(2-fluorophenyl)methyl]-N-methylquinoline-2-carboxamide
CID 9409269
N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 56905914

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide?
The IUPAC name of N,1-dimethyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide (CID 166621002) is N,1-dimethyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide is CN(Cc1ccccc1CN1CCCC1)C(=O)c1ccc2c(n1)N(C)CC2.
What is the InChIKey of N,1-dimethyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide?
The InChIKey is VLZFFWFZFNFXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-24-14-11-17-9-10-20(23-21(17)24)22(27)25(2)15-18-7-3-4-8-19(18)16-26-12-5-6-13-26/h3-4,7-10H,5-6,11-16H2,1-2H3.
What are the key properties of N,1-dimethyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide?
N,1-dimethyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 166621002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).