N-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]iminopyridine-4-carboxamide

C17H17N5O2 — CID 828327

IUPACN-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]iminopyridine-4-carboxamide
SMILESCN(C)Cn1c(O)c(/N=N/C(=O)c2ccncc2)c2ccccc21
InChIInChI=1S/C17H17N5O2/c1-21(2)11-22-14-6-4-3-5-13(14)15(17(22)24)19-20-16(23)12-7-9-18-10-8-12/h3-10,24H,11H2,1-2H3/b20-19+
InChIKeyDSZQOGPMIYUGRX-FMQUCBEESA-N
MW323.36 g/mol
LogP3.19
Rot. Bonds4

About N-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]iminopyridine-4-carboxamide

N-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]iminopyridine-4-carboxamide (PubChem CID 828327) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]iminopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]iminopyridine-4-carboxamide
PubChem CID828327
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]iminopyridine-4-carboxamide
SMILESCN(C)Cn1c(O)c(/N=N/C(=O)c2ccncc2)c2ccccc21
InChIInChI=1S/C17H17N5O2/c1-21(2)11-22-14-6-4-3-5-13(14)15(17(22)24)19-20-16(23)12-7-9-18-10-8-12/h3-10,24H,11H2,1-2H3/b20-19+
InChIKeyDSZQOGPMIYUGRX-FMQUCBEESA-N
XLogP3.19
TPSA83.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze N-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]iminopyridine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]iminopyridine-4-carboxamide?
The IUPAC name of N-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]iminopyridine-4-carboxamide (CID 828327) is N-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]iminopyridine-4-carboxamide.
What is the SMILES notation for N-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]iminopyridine-4-carboxamide?
The canonical SMILES for N-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]iminopyridine-4-carboxamide is CN(C)Cn1c(O)c(/N=N/C(=O)c2ccncc2)c2ccccc21.
What is the InChIKey of N-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]iminopyridine-4-carboxamide?
The InChIKey is DSZQOGPMIYUGRX-FMQUCBEESA-N. The full InChI is InChI=1S/C17H17N5O2/c1-21(2)11-22-14-6-4-3-5-13(14)15(17(22)24)19-20-16(23)12-7-9-18-10-8-12/h3-10,24H,11H2,1-2H3/b20-19+.
What are the key properties of N-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]iminopyridine-4-carboxamide?
N-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]iminopyridine-4-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]iminopyridine-4-carboxamide is sourced from PubChem (CID 828327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).