N-(2-chlorophenyl)-5-[3-(dimethylamino)propylamino]pyrazine-2-carboxamide

C16H20ClN5O — CID 109277995

IUPACN-(2-chlorophenyl)-5-[3-(dimethylamino)propylamino]pyrazine-2-carboxamide
SMILESCN(C)CCCNc1cnc(C(=O)Nc2ccccc2Cl)cn1
InChIInChI=1S/C16H20ClN5O/c1-22(2)9-5-8-18-15-11-19-14(10-20-15)16(23)21-13-7-4-3-6-12(13)17/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,18,20)(H,21,23)
InChIKeyFKOORBHWPQBUDQ-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.75
Rot. Bonds7

About N-(2-chlorophenyl)-5-[3-(dimethylamino)propylamino]pyrazine-2-carboxamide

N-(2-chlorophenyl)-5-[3-(dimethylamino)propylamino]pyrazine-2-carboxamide (PubChem CID 109277995) has the molecular formula C16H20ClN5O and a molecular weight of 333.82 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5-[3-(dimethylamino)propylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5-[3-(dimethylamino)propylamino]pyrazine-2-carboxamide
PubChem CID109277995
Molecular FormulaC16H20ClN5O
Molecular Weight333.82 g/mol
Exact Mass333.14
IUPAC NameN-(2-chlorophenyl)-5-[3-(dimethylamino)propylamino]pyrazine-2-carboxamide
SMILESCN(C)CCCNc1cnc(C(=O)Nc2ccccc2Cl)cn1
InChIInChI=1S/C16H20ClN5O/c1-22(2)9-5-8-18-15-11-19-14(10-20-15)16(23)21-13-7-4-3-6-12(13)17/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,18,20)(H,21,23)
InChIKeyFKOORBHWPQBUDQ-UHFFFAOYSA-N
XLogP2.75
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorophenyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107374242
N-(2-chlorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
CID 109253571
N-[3-(dimethylamino)propyl]-5-[3-(dimethylamino)propylamino]pyrazine-2-carboxamide
CID 109277733
methyl 2-[[5-[2-(dimethylamino)ethylamino]pyrazine-2-carbonyl]amino]benzoate
CID 109277408
5-[3-(dimethylamino)propylamino]-N-(4-ethylphenyl)pyrazine-2-carboxamide
CID 109277983
5-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
CID 109277279
6-N-(2-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide
CID 109096585
5-[3-(dimethylamino)propylamino]-N-propan-2-ylpyrazine-2-carboxamide
CID 109271171
N-(2-chlorophenyl)-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282336
5-(butylamino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
CID 109272633
5-[3-(dimethylamino)propylamino]-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide
CID 109278032
5-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272741

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-5-[3-(dimethylamino)propylamino]pyrazine-2-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-5-[3-(dimethylamino)propylamino]pyrazine-2-carboxamide (CID 109277995) is N-(2-chlorophenyl)-5-[3-(dimethylamino)propylamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-5-[3-(dimethylamino)propylamino]pyrazine-2-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-5-[3-(dimethylamino)propylamino]pyrazine-2-carboxamide is CN(C)CCCNc1cnc(C(=O)Nc2ccccc2Cl)cn1.
What is the InChIKey of N-(2-chlorophenyl)-5-[3-(dimethylamino)propylamino]pyrazine-2-carboxamide?
The InChIKey is FKOORBHWPQBUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O/c1-22(2)9-5-8-18-15-11-19-14(10-20-15)16(23)21-13-7-4-3-6-12(13)17/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,18,20)(H,21,23).
What are the key properties of N-(2-chlorophenyl)-5-[3-(dimethylamino)propylamino]pyrazine-2-carboxamide?
N-(2-chlorophenyl)-5-[3-(dimethylamino)propylamino]pyrazine-2-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-5-[3-(dimethylamino)propylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 109277995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).