5-(dimethylamino)-3-(4-piperazin-1-ylanilino)pyrazine-2-carboxamide

C17H23N7O — CID 167334977

IUPAC5-(dimethylamino)-3-(4-piperazin-1-ylanilino)pyrazine-2-carboxamide
SMILESCN(C)c1cnc(C(N)=O)c(Nc2ccc(N3CCNCC3)cc2)n1
InChIInChI=1S/C17H23N7O/c1-23(2)14-11-20-15(16(18)25)17(22-14)21-12-3-5-13(6-4-12)24-9-7-19-8-10-24/h3-6,11,19H,7-10H2,1-2H3,(H2,18,25)(H,21,22)
InChIKeyZMEHUQHVNYCTCC-UHFFFAOYSA-N
MW341.42 g/mol
LogP0.79
Rot. Bonds5

About 5-(dimethylamino)-3-(4-piperazin-1-ylanilino)pyrazine-2-carboxamide

5-(dimethylamino)-3-(4-piperazin-1-ylanilino)pyrazine-2-carboxamide (PubChem CID 167334977) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 5-(dimethylamino)-3-(4-piperazin-1-ylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(dimethylamino)-3-(4-piperazin-1-ylanilino)pyrazine-2-carboxamide
PubChem CID167334977
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name5-(dimethylamino)-3-(4-piperazin-1-ylanilino)pyrazine-2-carboxamide
SMILESCN(C)c1cnc(C(N)=O)c(Nc2ccc(N3CCNCC3)cc2)n1
InChIInChI=1S/C17H23N7O/c1-23(2)14-11-20-15(16(18)25)17(22-14)21-12-3-5-13(6-4-12)24-9-7-19-8-10-24/h3-6,11,19H,7-10H2,1-2H3,(H2,18,25)(H,21,22)
InChIKeyZMEHUQHVNYCTCC-UHFFFAOYSA-N
XLogP0.79
TPSA99.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-chloro-3-[4-(4-methyl-1,4-azaborinan-1-yl)anilino]pyrazine-2-carboxamide
CID 87092140
2-(4-piperazin-1-ylanilino)pyrimidine-4-carboxamide
CID 69247814
2-(2,6-dimethylphenyl)-5-(4-piperazin-1-ylanilino)-1,3-oxazole-4-carboxamide
CID 59587513
5-(3-cyanophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]pyrazine-2-carboxamide
CID 175321041
3-[4-(3,9-diazaspiro[5.5]undecan-3-yl)anilino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide
CID 146484926
N,N-dimethyl-5-piperazin-1-ylpyridin-2-amine
CID 152925430
3-(4-piperidin-1-ylanilino)quinoxaline-2-carboxamide
CID 11772395
5-[3-[dimethylcarbamoyl(methyl)amino]piperidin-1-yl]-3-[4-(1,1-dioxo-1,4-thiazinan-4-yl)anilino]pyrazine-2-carboxamide
CID 118115403
4-[(4-aminocyclohexyl)amino]-2-(4-piperazin-1-ylanilino)pyrimidine-5-carboxamide
CID 44596071
3,4-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide
CID 175207063
1-ethyl-1-methyl-3-(4-piperazin-1-ylphenyl)urea
CID 79159730
5-chloro-3-[4-(4-methylpiperazin-1-yl)anilino]-6-propan-2-ylpyrazine-2-carboxamide
CID 88569768

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-3-(4-piperazin-1-ylanilino)pyrazine-2-carboxamide?
The IUPAC name of 5-(dimethylamino)-3-(4-piperazin-1-ylanilino)pyrazine-2-carboxamide (CID 167334977) is 5-(dimethylamino)-3-(4-piperazin-1-ylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(dimethylamino)-3-(4-piperazin-1-ylanilino)pyrazine-2-carboxamide?
The canonical SMILES for 5-(dimethylamino)-3-(4-piperazin-1-ylanilino)pyrazine-2-carboxamide is CN(C)c1cnc(C(N)=O)c(Nc2ccc(N3CCNCC3)cc2)n1.
What is the InChIKey of 5-(dimethylamino)-3-(4-piperazin-1-ylanilino)pyrazine-2-carboxamide?
The InChIKey is ZMEHUQHVNYCTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-23(2)14-11-20-15(16(18)25)17(22-14)21-12-3-5-13(6-4-12)24-9-7-19-8-10-24/h3-6,11,19H,7-10H2,1-2H3,(H2,18,25)(H,21,22).
What are the key properties of 5-(dimethylamino)-3-(4-piperazin-1-ylanilino)pyrazine-2-carboxamide?
5-(dimethylamino)-3-(4-piperazin-1-ylanilino)pyrazine-2-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-3-(4-piperazin-1-ylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 167334977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).