N-butyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide

C20H27N5O — CID 109288302

IUPACN-butyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(Nc2ccc(N3CCCC3)cc2)cn1
InChIInChI=1S/C20H27N5O/c1-3-4-11-24(2)20(26)18-14-22-19(15-21-18)23-16-7-9-17(10-8-16)25-12-5-6-13-25/h7-10,14-15H,3-6,11-13H2,1-2H3,(H,22,23)
InChIKeyGTCQOLQVWYCASS-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.69
Rot. Bonds7

About N-butyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide

N-butyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide (PubChem CID 109288302) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is N-butyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
PubChem CID109288302
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC NameN-butyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(Nc2ccc(N3CCCC3)cc2)cn1
InChIInChI=1S/C20H27N5O/c1-3-4-11-24(2)20(26)18-14-22-19(15-21-18)23-16-7-9-17(10-8-16)25-12-5-6-13-25/h7-10,14-15H,3-6,11-13H2,1-2H3,(H,22,23)
InChIKeyGTCQOLQVWYCASS-UHFFFAOYSA-N
XLogP3.69
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-dipropyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109288967
N,N-diethyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109286810
N-benzyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109281129
N-butyl-N-methyl-5-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109182041
N-[3-(dimethylamino)propyl]-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide
CID 109277864
N-butyl-N-methyl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide
CID 109217771
methyl 4-[[5-[butyl(methyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109288297
N-butyl-5-(4-cyanoanilino)-N-methylpyrazine-2-carboxamide
CID 109288338
5-(3-bromo-4-methylanilino)-N-butyl-N-methylpyrazine-2-carboxamide
CID 109288276
N-butyl-N-methyl-5-(2-morpholin-4-ylanilino)pyrazine-2-carboxamide
CID 109288305
pyrrolidin-1-yl-[5-(4-pyrrolidin-1-ylanilino)pyrazin-2-yl]methanone
CID 109273648
N-butan-2-yl-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide
CID 109273265

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide?
The IUPAC name of N-butyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide (CID 109288302) is N-butyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-butyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide is CCCCN(C)C(=O)c1cnc(Nc2ccc(N3CCCC3)cc2)cn1.
What is the InChIKey of N-butyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide?
The InChIKey is GTCQOLQVWYCASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-3-4-11-24(2)20(26)18-14-22-19(15-21-18)23-16-7-9-17(10-8-16)25-12-5-6-13-25/h7-10,14-15H,3-6,11-13H2,1-2H3,(H,22,23).
What are the key properties of N-butyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide?
N-butyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109288302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).