6-amino-N-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide

C16H16N4O — CID 61095235

IUPAC6-amino-N-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide
SMILESCN(Cc1ccncc1)C(=O)c1c[nH]c2cc(N)ccc12
InChIInChI=1S/C16H16N4O/c1-20(10-11-4-6-18-7-5-11)16(21)14-9-19-15-8-12(17)2-3-13(14)15/h2-9,19H,10,17H2,1H3
InChIKeyAMUFNFYALJHBRL-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.42
Rot. Bonds3

About 6-amino-N-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide

6-amino-N-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide (PubChem CID 61095235) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 6-amino-N-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide
PubChem CID61095235
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name6-amino-N-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide
SMILESCN(Cc1ccncc1)C(=O)c1c[nH]c2cc(N)ccc12
InChIInChI=1S/C16H16N4O/c1-20(10-11-4-6-18-7-5-11)16(21)14-9-19-15-8-12(17)2-3-13(14)15/h2-9,19H,10,17H2,1H3
InChIKeyAMUFNFYALJHBRL-UHFFFAOYSA-N
XLogP2.42
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-amino-N-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-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

6-amino-N-methyl-N-(thiophen-2-ylmethyl)-1H-indole-3-carboxamide
CID 61095599
6-amino-N-methyl-N-propyl-1H-indole-3-carboxamide
CID 61094974
6-amino-N-[2-(dimethylamino)ethyl]-N-methyl-1H-indole-3-carboxamide
CID 63694066
6-amino-N-(2-hydroxypropyl)-N-methyl-1H-indole-3-carboxamide
CID 62334013
6-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-indole-3-carboxamide
CID 114946750
6-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)-1H-indole-3-carboxamide
CID 113206552
5-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-3-carboxamide
CID 63116844
4-amino-3,5-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 63185451
6-amino-N,N-bis(cyanomethyl)-1H-indole-3-carboxamide
CID 61090071
5-amino-N-methyl-N-(2-methylpropyl)-1H-indole-3-carboxamide
CID 63116873
6-amino-N-(3-hydroxypropyl)-N-propan-2-yl-1H-indole-3-carboxamide
CID 61138342
6-amino-N-ethyl-N-(2-methylbutyl)-1H-indole-3-carboxamide
CID 79471867

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide?
The IUPAC name of 6-amino-N-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide (CID 61095235) is 6-amino-N-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 6-amino-N-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide?
The canonical SMILES for 6-amino-N-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide is CN(Cc1ccncc1)C(=O)c1c[nH]c2cc(N)ccc12.
What is the InChIKey of 6-amino-N-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide?
The InChIKey is AMUFNFYALJHBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-20(10-11-4-6-18-7-5-11)16(21)14-9-19-15-8-12(17)2-3-13(14)15/h2-9,19H,10,17H2,1H3.
What are the key properties of 6-amino-N-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide?
6-amino-N-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 61095235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).