5-(2,3-dimethylanilino)-N-pentylpyrazine-2-carboxamide

C18H24N4O — CID 109288020

IUPAC5-(2,3-dimethylanilino)-N-pentylpyrazine-2-carboxamide
SMILESCCCCCNC(=O)c1cnc(Nc2cccc(C)c2C)cn1
InChIInChI=1S/C18H24N4O/c1-4-5-6-10-19-18(23)16-11-21-17(12-20-16)22-15-9-7-8-13(2)14(15)3/h7-9,11-12H,4-6,10H2,1-3H3,(H,19,23)(H,21,22)
InChIKeyPCFUPERLNBJVBS-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.76
Rot. Bonds7

About 5-(2,3-dimethylanilino)-N-pentylpyrazine-2-carboxamide

5-(2,3-dimethylanilino)-N-pentylpyrazine-2-carboxamide (PubChem CID 109288020) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 5-(2,3-dimethylanilino)-N-pentylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dimethylanilino)-N-pentylpyrazine-2-carboxamide
PubChem CID109288020
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name5-(2,3-dimethylanilino)-N-pentylpyrazine-2-carboxamide
SMILESCCCCCNC(=O)c1cnc(Nc2cccc(C)c2C)cn1
InChIInChI=1S/C18H24N4O/c1-4-5-6-10-19-18(23)16-11-21-17(12-20-16)22-15-9-7-8-13(2)14(15)3/h7-9,11-12H,4-6,10H2,1-3H3,(H,19,23)(H,21,22)
InChIKeyPCFUPERLNBJVBS-UHFFFAOYSA-N
XLogP3.76
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
CID 109285792
5-(2,3-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280014
N-benzyl-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
CID 109279707
4-(2,3-dimethylanilino)-N-pentylpyridine-2-carboxamide
CID 109217517
5-(butylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109272632
5-(2,3-dimethylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
CID 109291406
N-[2-(cyclohexen-1-yl)ethyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
CID 109275443
5-(2,4-difluoroanilino)-N-pentylpyrazine-2-carboxamide
CID 109288090
N-(2-chlorophenyl)-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
CID 109291413
5-(2,3-dimethylanilino)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 109291428
5-(2-bromo-4-methylanilino)-N-butylpyrazine-2-carboxamide
CID 109272501
N-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide
CID 109272523

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylanilino)-N-pentylpyrazine-2-carboxamide?
The IUPAC name of 5-(2,3-dimethylanilino)-N-pentylpyrazine-2-carboxamide (CID 109288020) is 5-(2,3-dimethylanilino)-N-pentylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(2,3-dimethylanilino)-N-pentylpyrazine-2-carboxamide?
The canonical SMILES for 5-(2,3-dimethylanilino)-N-pentylpyrazine-2-carboxamide is CCCCCNC(=O)c1cnc(Nc2cccc(C)c2C)cn1.
What is the InChIKey of 5-(2,3-dimethylanilino)-N-pentylpyrazine-2-carboxamide?
The InChIKey is PCFUPERLNBJVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-4-5-6-10-19-18(23)16-11-21-17(12-20-16)22-15-9-7-8-13(2)14(15)3/h7-9,11-12H,4-6,10H2,1-3H3,(H,19,23)(H,21,22).
What are the key properties of 5-(2,3-dimethylanilino)-N-pentylpyrazine-2-carboxamide?
5-(2,3-dimethylanilino)-N-pentylpyrazine-2-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylanilino)-N-pentylpyrazine-2-carboxamide is sourced from PubChem (CID 109288020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).