5-(tert-butylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide

C17H23N5O — CID 109284979

IUPAC5-(tert-butylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1cnc(NC(C)(C)C)cn1
InChIInChI=1S/C17H23N5O/c1-17(2,3)21-15-12-19-14(11-20-15)16(23)22(4)10-7-13-5-8-18-9-6-13/h5-6,8-9,11-12H,7,10H2,1-4H3,(H,20,21)
InChIKeyLNUMHLXLZQXAQS-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.40
Rot. Bonds5

About 5-(tert-butylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide

5-(tert-butylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide (PubChem CID 109284979) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 5-(tert-butylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(tert-butylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide
PubChem CID109284979
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name5-(tert-butylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1cnc(NC(C)(C)C)cn1
InChIInChI=1S/C17H23N5O/c1-17(2,3)21-15-12-19-14(11-20-15)16(23)22(4)10-7-13-5-8-18-9-6-13/h5-6,8-9,11-12H,7,10H2,1-4H3,(H,20,21)
InChIKeyLNUMHLXLZQXAQS-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-5-[(4-methylphenyl)methylamino]-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide
CID 109280643
5-(2-fluoroanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide
CID 109285014
5-(2,4-difluoroanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide
CID 109285050
6-(tert-butylamino)-N-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 112854178
5-(2,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide
CID 109285036
N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 110699109
5-[3-(dimethylamino)propylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109186113
N-methyl-6-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109151190
N-methyl-N-(2-pyridin-4-ylethyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307463
N-butyl-N-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide
CID 109285072
3-N-tert-butyl-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109106447
5-(butan-2-ylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109181625

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(tert-butylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide (CID 109284979) is 5-(tert-butylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(tert-butylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(tert-butylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide is CN(CCc1ccncc1)C(=O)c1cnc(NC(C)(C)C)cn1.
What is the InChIKey of 5-(tert-butylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide?
The InChIKey is LNUMHLXLZQXAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-17(2,3)21-15-12-19-14(11-20-15)16(23)22(4)10-7-13-5-8-18-9-6-13/h5-6,8-9,11-12H,7,10H2,1-4H3,(H,20,21).
What are the key properties of 5-(tert-butylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide?
5-(tert-butylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109284979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).