N-butan-2-yl-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide

C20H27N5O — CID 109273265

IUPACN-butan-2-yl-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide
SMILESCCC(C)NC(=O)c1cnc(Nc2ccc(N3CCCCC3)cc2)cn1
InChIInChI=1S/C20H27N5O/c1-3-15(2)23-20(26)18-13-22-19(14-21-18)24-16-7-9-17(10-8-16)25-11-5-4-6-12-25/h7-10,13-15H,3-6,11-12H2,1-2H3,(H,22,24)(H,23,26)
InChIKeyVSJVJHNPONEEHU-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.74
Rot. Bonds6

About N-butan-2-yl-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide

N-butan-2-yl-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide (PubChem CID 109273265) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is N-butan-2-yl-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide
PubChem CID109273265
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC NameN-butan-2-yl-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide
SMILESCCC(C)NC(=O)c1cnc(Nc2ccc(N3CCCCC3)cc2)cn1
InChIInChI=1S/C20H27N5O/c1-3-15(2)23-20(26)18-13-22-19(14-21-18)24-16-7-9-17(10-8-16)25-11-5-4-6-12-25/h7-10,13-15H,3-6,11-12H2,1-2H3,(H,22,24)(H,23,26)
InChIKeyVSJVJHNPONEEHU-UHFFFAOYSA-N
XLogP3.74
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.74
H-Bond Donors ≤ 52
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-butan-2-yl-5-(4-tert-butylanilino)pyrazine-2-carboxamide
CID 109273223
N-butan-2-yl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide
CID 109203383
N,N-diethyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109286810
N-[3-(dimethylamino)propyl]-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide
CID 109277864
5-(4-piperidin-1-ylanilino)-N-propan-2-ylpyridine-2-carboxamide
CID 109179591
N,N-dipropyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109288967
pyrrolidin-1-yl-[5-(4-pyrrolidin-1-ylanilino)pyrazin-2-yl]methanone
CID 109273648
N-(pyridin-4-ylmethyl)-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109283603
1-[4-[5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279139
N-butan-2-yl-5-(3,4-dimethoxyanilino)pyrazine-2-carboxamide
CID 109273249
N-butyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109288302
N-butan-2-yl-5-morpholin-4-ylpyridine-2-carboxamide
CID 109181400

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide?
The IUPAC name of N-butan-2-yl-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide (CID 109273265) is N-butan-2-yl-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide is CCC(C)NC(=O)c1cnc(Nc2ccc(N3CCCCC3)cc2)cn1.
What is the InChIKey of N-butan-2-yl-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide?
The InChIKey is VSJVJHNPONEEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-3-15(2)23-20(26)18-13-22-19(14-21-18)24-16-7-9-17(10-8-16)25-11-5-4-6-12-25/h7-10,13-15H,3-6,11-12H2,1-2H3,(H,22,24)(H,23,26).
What are the key properties of N-butan-2-yl-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide?
N-butan-2-yl-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109273265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).