N-tert-butyl-5-(3-cyanoanilino)pyrazine-2-carboxamide

C16H17N5O — CID 109287332

IUPACN-tert-butyl-5-(3-cyanoanilino)pyrazine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cnc(Nc2cccc(C#N)c2)cn1
InChIInChI=1S/C16H17N5O/c1-16(2,3)21-15(22)13-9-19-14(10-18-13)20-12-6-4-5-11(7-12)8-17/h4-7,9-10H,1-3H3,(H,19,20)(H,21,22)
InChIKeyGOYLSQINBVWNNS-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.62
Rot. Bonds3

About N-tert-butyl-5-(3-cyanoanilino)pyrazine-2-carboxamide

N-tert-butyl-5-(3-cyanoanilino)pyrazine-2-carboxamide (PubChem CID 109287332) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is N-tert-butyl-5-(3-cyanoanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-(3-cyanoanilino)pyrazine-2-carboxamide
PubChem CID109287332
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC NameN-tert-butyl-5-(3-cyanoanilino)pyrazine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cnc(Nc2cccc(C#N)c2)cn1
InChIInChI=1S/C16H17N5O/c1-16(2,3)21-15(22)13-9-19-14(10-18-13)20-12-6-4-5-11(7-12)8-17/h4-7,9-10H,1-3H3,(H,19,20)(H,21,22)
InChIKeyGOYLSQINBVWNNS-UHFFFAOYSA-N
XLogP2.62
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-5-(3-chloroanilino)pyrazine-2-carboxamide
CID 109287259
5-(3-cyanoanilino)-N-(2,6-diethylphenyl)pyrazine-2-carboxamide
CID 109292172
N-(3-chloro-4-methoxyphenyl)-5-(3-cyanoanilino)pyrazine-2-carboxamide
CID 109293290
5-(3-cyanoanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293839
5-(3-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284773
5-(4-bromo-3-methylanilino)-N-tert-butylpyrazine-2-carboxamide
CID 109287309
N-(3-cyanophenyl)-5-(2,3-dichloroanilino)pyrazine-2-carboxamide
CID 109294627
N-(3-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide
CID 109294044
5-chloro-N-(3-cyanophenyl)pyrazine-2-carboxamide
CID 103803374
tert-butyl N-[5-(3-cyanoanilino)-2-pyridinyl]carbamate
CID 113037201
6-(4-tert-butylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109163157
N-tert-butyl-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide
CID 109287251

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(3-cyanoanilino)pyrazine-2-carboxamide?
The IUPAC name of N-tert-butyl-5-(3-cyanoanilino)pyrazine-2-carboxamide (CID 109287332) is N-tert-butyl-5-(3-cyanoanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-5-(3-cyanoanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-tert-butyl-5-(3-cyanoanilino)pyrazine-2-carboxamide is CC(C)(C)NC(=O)c1cnc(Nc2cccc(C#N)c2)cn1.
What is the InChIKey of N-tert-butyl-5-(3-cyanoanilino)pyrazine-2-carboxamide?
The InChIKey is GOYLSQINBVWNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-16(2,3)21-15(22)13-9-19-14(10-18-13)20-12-6-4-5-11(7-12)8-17/h4-7,9-10H,1-3H3,(H,19,20)(H,21,22).
What are the key properties of N-tert-butyl-5-(3-cyanoanilino)pyrazine-2-carboxamide?
N-tert-butyl-5-(3-cyanoanilino)pyrazine-2-carboxamide has a molecular weight of 295.35 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(3-cyanoanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109287332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).