3-amino-N-[2,4-di(propan-2-yl)phenyl]pyrazine-2-carboxamide

C17H22N4O — CID 119132580

IUPAC3-amino-N-[2,4-di(propan-2-yl)phenyl]pyrazine-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2nccnc2N)c(C(C)C)c1
InChIInChI=1S/C17H22N4O/c1-10(2)12-5-6-14(13(9-12)11(3)4)21-17(22)15-16(18)20-8-7-19-15/h5-11H,1-4H3,(H2,18,20)(H,21,22)
InChIKeyKLZQDPAAJCEFQD-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.56
Rot. Bonds4

About 3-amino-N-[2,4-di(propan-2-yl)phenyl]pyrazine-2-carboxamide

3-amino-N-[2,4-di(propan-2-yl)phenyl]pyrazine-2-carboxamide (PubChem CID 119132580) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-amino-N-[2,4-di(propan-2-yl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2,4-di(propan-2-yl)phenyl]pyrazine-2-carboxamide
PubChem CID119132580
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name3-amino-N-[2,4-di(propan-2-yl)phenyl]pyrazine-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2nccnc2N)c(C(C)C)c1
InChIInChI=1S/C17H22N4O/c1-10(2)12-5-6-14(13(9-12)11(3)4)21-17(22)15-16(18)20-8-7-19-15/h5-11H,1-4H3,(H2,18,20)(H,21,22)
InChIKeyKLZQDPAAJCEFQD-UHFFFAOYSA-N
XLogP3.56
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[2,4-di(propan-2-yl)phenyl]propanamide;hydrochloride
CID 119288317
5-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methylbenzamide
CID 120622117
3-[(2-hydroxy-5-propan-2-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 135632821
methyl 2-[(3-aminopyrazine-2-carbonyl)amino]-5-methylbenzoate
CID 122136744
3-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methylpropanamide
CID 55105659
3-amino-N-[2,4-di(propan-2-yl)phenyl]propanamide
CID 43705485
3-amino-N-[3-chloro-4-[[(1S)-1-phenylethyl]amino]phenyl]pyrazine-2-carboxamide
CID 52763720
3-amino-N-(3-methyl-4-pyridinyl)pyrazine-2-carboxamide
CID 136524322
2-(5-amino-2-pyridinyl)-N-[2,4-di(propan-2-yl)phenyl]acetamide;hydrochloride
CID 120622112
3-amino-N-(4-iodophenyl)pyrazine-2-carboxamide
CID 46525550
5-chloro-N-[2,4-di(propan-2-yl)phenyl]pentanamide
CID 43698416
3-chloro-N-[2,4-di(propan-2-yl)phenyl]-2,2-dimethylpropanamide
CID 63680547

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2,4-di(propan-2-yl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[2,4-di(propan-2-yl)phenyl]pyrazine-2-carboxamide (CID 119132580) is 3-amino-N-[2,4-di(propan-2-yl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2,4-di(propan-2-yl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2,4-di(propan-2-yl)phenyl]pyrazine-2-carboxamide is CC(C)c1ccc(NC(=O)c2nccnc2N)c(C(C)C)c1.
What is the InChIKey of 3-amino-N-[2,4-di(propan-2-yl)phenyl]pyrazine-2-carboxamide?
The InChIKey is KLZQDPAAJCEFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-10(2)12-5-6-14(13(9-12)11(3)4)21-17(22)15-16(18)20-8-7-19-15/h5-11H,1-4H3,(H2,18,20)(H,21,22).
What are the key properties of 3-amino-N-[2,4-di(propan-2-yl)phenyl]pyrazine-2-carboxamide?
3-amino-N-[2,4-di(propan-2-yl)phenyl]pyrazine-2-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2,4-di(propan-2-yl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 119132580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).