N,N-diethyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide

C19H25N5O — CID 109286810

IUPACN,N-diethyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
SMILESCCN(CC)C(=O)c1cnc(Nc2ccc(N3CCCC3)cc2)cn1
InChIInChI=1S/C19H25N5O/c1-3-23(4-2)19(25)17-13-21-18(14-20-17)22-15-7-9-16(10-8-15)24-11-5-6-12-24/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,21,22)
InChIKeyUGDQSQAWFMXGOH-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.30
Rot. Bonds6

About N,N-diethyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide

N,N-diethyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide (PubChem CID 109286810) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N,N-diethyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
PubChem CID109286810
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN,N-diethyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
SMILESCCN(CC)C(=O)c1cnc(Nc2ccc(N3CCCC3)cc2)cn1
InChIInChI=1S/C19H25N5O/c1-3-23(4-2)19(25)17-13-21-18(14-20-17)22-15-7-9-16(10-8-15)24-11-5-6-12-24/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,21,22)
InChIKeyUGDQSQAWFMXGOH-UHFFFAOYSA-N
XLogP3.30
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N,N-diethyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-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,N-dipropyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109288967
N-butyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109288302
pyrrolidin-1-yl-[5-(4-pyrrolidin-1-ylanilino)pyrazin-2-yl]methanone
CID 109273648
N-benzyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109281129
1-[4-[5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279139
N-butan-2-yl-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide
CID 109273265
N-[3-(dimethylamino)propyl]-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide
CID 109277864
N,N-diethyl-2-(4-piperidin-1-ylanilino)pyrimidine-5-carboxamide
CID 109262419
N-(pyridin-4-ylmethyl)-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109283603
5-(2,6-dichloroanilino)-N,N-diethylpyrazine-2-carboxamide
CID 109286839
2-methyl-6-(4-piperidin-1-ylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 112847615
5-(3-acetylanilino)-N,N-diethylpyrazine-2-carboxamide
CID 109286799

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide?
The IUPAC name of N,N-diethyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide (CID 109286810) is N,N-diethyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N,N-diethyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide?
The canonical SMILES for N,N-diethyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide is CCN(CC)C(=O)c1cnc(Nc2ccc(N3CCCC3)cc2)cn1.
What is the InChIKey of N,N-diethyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide?
The InChIKey is UGDQSQAWFMXGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-3-23(4-2)19(25)17-13-21-18(14-20-17)22-15-7-9-16(10-8-15)24-11-5-6-12-24/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,21,22).
What are the key properties of N,N-diethyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide?
N,N-diethyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109286810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).