N-(3-aminopropyl)-N-methylquinoxaline-2-carboxamide

C13H16N4O — CID 113265814

IUPACN-(3-aminopropyl)-N-methylquinoxaline-2-carboxamide
SMILESCN(CCCN)C(=O)c1cnc2ccccc2n1
InChIInChI=1S/C13H16N4O/c1-17(8-4-7-14)13(18)12-9-15-10-5-2-3-6-11(10)16-12/h2-3,5-6,9H,4,7-8,14H2,1H3
InChIKeyMTSVBVYQMCYNAV-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.05
Rot. Bonds4

About N-(3-aminopropyl)-N-methylquinoxaline-2-carboxamide

N-(3-aminopropyl)-N-methylquinoxaline-2-carboxamide (PubChem CID 113265814) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-methylquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-methylquinoxaline-2-carboxamide
PubChem CID113265814
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-(3-aminopropyl)-N-methylquinoxaline-2-carboxamide
SMILESCN(CCCN)C(=O)c1cnc2ccccc2n1
InChIInChI=1S/C13H16N4O/c1-17(8-4-7-14)13(18)12-9-15-10-5-2-3-6-11(10)16-12/h2-3,5-6,9H,4,7-8,14H2,1H3
InChIKeyMTSVBVYQMCYNAV-UHFFFAOYSA-N
XLogP1.05
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-aminopropyl)-N-methylquinoxaline-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

N-(3-amino-2,2-dimethylpropyl)-N-methylquinoxaline-2-carboxamide
CID 103807675
N-[2-(3-chlorophenoxy)ethyl]-N-methylquinoxaline-2-carboxamide
CID 31643907
N-methyl-N-[(4-propan-2-ylphenyl)methyl]quinoxaline-2-carboxamide
CID 46546463
(2-oxo-2-quinoxalin-2-ylethyl) acetate
CID 119091259
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]quinoxaline-2-carboxamide
CID 26722336
N'-ethyl-N'-quinoxalin-2-ylpropane-1,3-diamine
CID 62358578
N-(3-hydroxypropyl)-N-methylquinoline-2-carboxamide
CID 114230507
3-[ethyl(quinoxaline-2-carbonyl)amino]propanoic acid
CID 61007107
ethyl quinoxaline-2-carboxylate
CID 582701
N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-N-methylquinoxaline-2-carboxamide
CID 107356576
N-(4-aminobutyl)-N-methylbenzamide
CID 119088367
N-[(2S)-1-aminopropan-2-yl]quinoxaline-2-carboxamide
CID 120507243

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-methylquinoxaline-2-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-methylquinoxaline-2-carboxamide (CID 113265814) is N-(3-aminopropyl)-N-methylquinoxaline-2-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-methylquinoxaline-2-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-methylquinoxaline-2-carboxamide is CN(CCCN)C(=O)c1cnc2ccccc2n1.
What is the InChIKey of N-(3-aminopropyl)-N-methylquinoxaline-2-carboxamide?
The InChIKey is MTSVBVYQMCYNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-17(8-4-7-14)13(18)12-9-15-10-5-2-3-6-11(10)16-12/h2-3,5-6,9H,4,7-8,14H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-methylquinoxaline-2-carboxamide?
N-(3-aminopropyl)-N-methylquinoxaline-2-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-methylquinoxaline-2-carboxamide is sourced from PubChem (CID 113265814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).