5-(tert-butylamino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide

C16H19ClN4O — CID 109282005

IUPAC5-(tert-butylamino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide
SMILESCC(C)(C)Nc1cnc(C(=O)NCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C16H19ClN4O/c1-16(2,3)21-14-10-18-13(9-19-14)15(22)20-8-11-4-6-12(17)7-5-11/h4-7,9-10H,8H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyNKKUFRSLDNNSQN-UHFFFAOYSA-N
MW318.81 g/mol
LogP3.27
Rot. Bonds4

About 5-(tert-butylamino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide

5-(tert-butylamino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide (PubChem CID 109282005) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 5-(tert-butylamino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(tert-butylamino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide
PubChem CID109282005
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name5-(tert-butylamino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide
SMILESCC(C)(C)Nc1cnc(C(=O)NCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C16H19ClN4O/c1-16(2,3)21-14-10-18-13(9-19-14)15(22)20-8-11-4-6-12(17)7-5-11/h4-7,9-10H,8H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyNKKUFRSLDNNSQN-UHFFFAOYSA-N
XLogP3.27
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281984
5-(tert-butylamino)-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 109281813
5-(2-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 109282039
N-[(4-chlorophenyl)methyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
CID 109279476
N-[(4-chlorophenyl)methyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide
CID 109282024
N-[(4-chlorophenyl)methyl]-5-(2-ethyl-6-methylanilino)pyrazine-2-carboxamide
CID 109282031
N-[(4-chlorophenyl)methyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109282066
N-butyl-5-(tert-butylamino)pyrazine-2-carboxamide
CID 109272412
N-benzyl-5-(benzylamino)pyrazine-2-carboxamide
CID 109279637
N-[(4-chlorophenyl)methyl]-5-(2,5-dimethoxyanilino)pyrazine-2-carboxamide
CID 109282055
5-(3,5-dichloroanilino)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 109281654
5-[(4-chlorophenyl)methylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109282099

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylamino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(tert-butylamino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide (CID 109282005) is 5-(tert-butylamino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(tert-butylamino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(tert-butylamino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide is CC(C)(C)Nc1cnc(C(=O)NCc2ccc(Cl)cc2)cn1.
What is the InChIKey of 5-(tert-butylamino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is NKKUFRSLDNNSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-16(2,3)21-14-10-18-13(9-19-14)15(22)20-8-11-4-6-12(17)7-5-11/h4-7,9-10H,8H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 5-(tert-butylamino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide?
5-(tert-butylamino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 318.81 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylamino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109282005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).