N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]quinoxaline-6-carboxamide

C19H22N8O — CID 122254344

IUPACN-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]quinoxaline-6-carboxamide
SMILESCN(C)c1nc(CNC(=O)c2ccc3nccnc3c2)nc(N2CCCC2)n1
InChIInChI=1S/C19H22N8O/c1-26(2)18-23-16(24-19(25-18)27-9-3-4-10-27)12-22-17(28)13-5-6-14-15(11-13)21-8-7-20-14/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,22,28)
InChIKeyKTDQNXNDHIZFNS-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.41
Rot. Bonds5

About N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]quinoxaline-6-carboxamide

N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]quinoxaline-6-carboxamide (PubChem CID 122254344) has the molecular formula C19H22N8O and a molecular weight of 378.44 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]quinoxaline-6-carboxamide
PubChem CID122254344
Molecular FormulaC19H22N8O
Molecular Weight378.44 g/mol
Exact Mass378.19
IUPAC NameN-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]quinoxaline-6-carboxamide
SMILESCN(C)c1nc(CNC(=O)c2ccc3nccnc3c2)nc(N2CCCC2)n1
InChIInChI=1S/C19H22N8O/c1-26(2)18-23-16(24-19(25-18)27-9-3-4-10-27)12-22-17(28)13-5-6-14-15(11-13)21-8-7-20-14/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,22,28)
InChIKeyKTDQNXNDHIZFNS-UHFFFAOYSA-N
XLogP1.41
TPSA100.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]quinoxaline-6-carboxamide with MolForge

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Related Compounds

N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 122254535
4-acetyl-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide
CID 122254637
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-3-methylbenzamide
CID 122254152
3-(dimethylamino)-N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide
CID 122254297
3-(dimethylamino)-N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]benzamide
CID 122254570
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]thiophene-3-carboxamide
CID 122254265
N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-6-ethoxypyridine-3-carboxamide
CID 122254625
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-4-thiophen-2-ylbenzamide
CID 122254324
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2,3,4-trifluorobenzamide
CID 122254319
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-5-methylpyrazine-2-carboxamide
CID 122254349
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]thiophene-2-carboxamide
CID 122254172
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 121137973

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]quinoxaline-6-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]quinoxaline-6-carboxamide (CID 122254344) is N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]quinoxaline-6-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]quinoxaline-6-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]quinoxaline-6-carboxamide is CN(C)c1nc(CNC(=O)c2ccc3nccnc3c2)nc(N2CCCC2)n1.
What is the InChIKey of N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]quinoxaline-6-carboxamide?
The InChIKey is KTDQNXNDHIZFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O/c1-26(2)18-23-16(24-19(25-18)27-9-3-4-10-27)12-22-17(28)13-5-6-14-15(11-13)21-8-7-20-14/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,22,28).
What are the key properties of N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]quinoxaline-6-carboxamide?
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]quinoxaline-6-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 122254344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).