N-tert-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide

C17H23N5O — CID 109285067

IUPACN-tert-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide
SMILESCN(CCc1ccncc1)c1cnc(C(=O)NC(C)(C)C)cn1
InChIInChI=1S/C17H23N5O/c1-17(2,3)21-16(23)14-11-20-15(12-19-14)22(4)10-7-13-5-8-18-9-6-13/h5-6,8-9,11-12H,7,10H2,1-4H3,(H,21,23)
InChIKeyUUELWAGEZUTDEY-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.08
Rot. Bonds5

About N-tert-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide

N-tert-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide (PubChem CID 109285067) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is N-tert-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide
PubChem CID109285067
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC NameN-tert-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide
SMILESCN(CCc1ccncc1)c1cnc(C(=O)NC(C)(C)C)cn1
InChIInChI=1S/C17H23N5O/c1-17(2,3)21-16(23)14-11-20-15(12-19-14)22(4)10-7-13-5-8-18-9-6-13/h5-6,8-9,11-12H,7,10H2,1-4H3,(H,21,23)
InChIKeyUUELWAGEZUTDEY-UHFFFAOYSA-N
XLogP2.08
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109192950
N-(3-acetamidophenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide
CID 109285128
5-[methyl(2-pyridin-4-ylethyl)amino]-N,N-dipropylpyrazine-2-carboxamide
CID 109285075
N-(3-chloro-4-methylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide
CID 109285110
N-butyl-N-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide
CID 109285072
5-(chloromethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazin-2-amine
CID 107373359
3-N-tert-butyl-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109106447
5-(tert-butylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide
CID 109284979
N-[2-(dimethylamino)ethyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109153874
N-(3,5-dimethylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109192971
6-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158287
N-[4-(dimethylamino)phenyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109159164

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide?
The IUPAC name of N-tert-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide (CID 109285067) is N-tert-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide?
The canonical SMILES for N-tert-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide is CN(CCc1ccncc1)c1cnc(C(=O)NC(C)(C)C)cn1.
What is the InChIKey of N-tert-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide?
The InChIKey is UUELWAGEZUTDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-17(2,3)21-16(23)14-11-20-15(12-19-14)22(4)10-7-13-5-8-18-9-6-13/h5-6,8-9,11-12H,7,10H2,1-4H3,(H,21,23).
What are the key properties of N-tert-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide?
N-tert-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 109285067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).