5-(2,6-diethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide

C21H23N5O — CID 109282986

IUPAC5-(2,6-diethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
SMILESCCc1cccc(CC)c1Nc1cnc(C(=O)NCc2ccccn2)cn1
InChIInChI=1S/C21H23N5O/c1-3-15-8-7-9-16(4-2)20(15)26-19-14-23-18(13-24-19)21(27)25-12-17-10-5-6-11-22-17/h5-11,13-14H,3-4,12H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyOZOUPQRXVUEZFR-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.67
Rot. Bonds7

About 5-(2,6-diethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide

5-(2,6-diethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide (PubChem CID 109282986) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 5-(2,6-diethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2,6-diethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
PubChem CID109282986
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name5-(2,6-diethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
SMILESCCc1cccc(CC)c1Nc1cnc(C(=O)NCc2ccccn2)cn1
InChIInChI=1S/C21H23N5O/c1-3-15-8-7-9-16(4-2)20(15)26-19-14-23-18(13-24-19)21(27)25-12-17-10-5-6-11-22-17/h5-11,13-14H,3-4,12H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyOZOUPQRXVUEZFR-UHFFFAOYSA-N
XLogP3.67
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyridin-2-ylmethyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109282922
2-(2,6-diethylanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 109171655
5-(2-chloro-4,6-dimethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 109283000
5-(2,5-dimethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 109282974
N-propyl-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109270793
5-(diethylamino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 109282951
N-[(4-chlorophenyl)methyl]-5-(2-ethyl-6-methylanilino)pyrazine-2-carboxamide
CID 109282031
N'-(2,6-diethylphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108511400
6-(2-ethylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120853
N-pentyl-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109283102
6-(2-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109349758
5-(ethylamino)-N-[(2-ethylphenyl)methyl]pyrazine-2-carboxamide
CID 107375903

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-diethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(2,6-diethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide (CID 109282986) is 5-(2,6-diethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2,6-diethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2,6-diethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide is CCc1cccc(CC)c1Nc1cnc(C(=O)NCc2ccccn2)cn1.
What is the InChIKey of 5-(2,6-diethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is OZOUPQRXVUEZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-3-15-8-7-9-16(4-2)20(15)26-19-14-23-18(13-24-19)21(27)25-12-17-10-5-6-11-22-17/h5-11,13-14H,3-4,12H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 5-(2,6-diethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide?
5-(2,6-diethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-diethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109282986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).