3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-phenylpyrazine-2-carboxamide

C16H20ClN5O — CID 45254967

IUPAC3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-phenylpyrazine-2-carboxamide
SMILESCC(C)CN(C)c1nc(N)c(C(=O)Nc2ccccc2)nc1Cl
InChIInChI=1S/C16H20ClN5O/c1-10(2)9-22(3)15-13(17)20-12(14(18)21-15)16(23)19-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H2,18,21)(H,19,23)
InChIKeyZAZFJJFLEHQQNG-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.06
Rot. Bonds5

About 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-phenylpyrazine-2-carboxamide

3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-phenylpyrazine-2-carboxamide (PubChem CID 45254967) has the molecular formula C16H20ClN5O and a molecular weight of 333.82 g/mol. Its IUPAC name is 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-phenylpyrazine-2-carboxamide
PubChem CID45254967
Molecular FormulaC16H20ClN5O
Molecular Weight333.82 g/mol
Exact Mass333.14
IUPAC Name3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-phenylpyrazine-2-carboxamide
SMILESCC(C)CN(C)c1nc(N)c(C(=O)Nc2ccccc2)nc1Cl
InChIInChI=1S/C16H20ClN5O/c1-10(2)9-22(3)15-13(17)20-12(14(18)21-15)16(23)19-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H2,18,21)(H,19,23)
InChIKeyZAZFJJFLEHQQNG-UHFFFAOYSA-N
XLogP3.06
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-pyridin-4-ylpyrazine-2-carboxamide
CID 45255801
methyl 3-[[3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]pyrazine-2-carbonyl]amino]benzoate;2,2,2-trifluoroacetic acid
CID 87387276
3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-(4-methyl-3-pyridinyl)pyrazine-2-carboxamide;hydrochloride
CID 45255794
3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 45255602
3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 45255984
3-amino-6-chloro-N-cyclohexyl-5-[methyl(2-methylpropyl)amino]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 45255607
3-amino-N-benzyl-6-chloro-5-(3-methylbutylamino)pyrazine-2-carboxamide
CID 87387992
2-N-(2-methylpropyl)-6-N-phenylpyridine-2,6-dicarboxamide
CID 109094464
(3S)-3,4-dimethyl-N-phenylpentanamide
CID 102017324
2-[(2-anilino-2-oxoethyl)-(2-methylpropyl)amino]-N-phenylacetamide
CID 17437841
N-phenyl-7-(propan-2-ylamino)imidazo[1,2-a]pyridine-2-carboxamide
CID 163902440
6-amino-N-phenylpyrimidine-4-carboxamide;3-methylbutan-1-ol
CID 143943199

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-phenylpyrazine-2-carboxamide (CID 45254967) is 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-phenylpyrazine-2-carboxamide is CC(C)CN(C)c1nc(N)c(C(=O)Nc2ccccc2)nc1Cl.
What is the InChIKey of 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-phenylpyrazine-2-carboxamide?
The InChIKey is ZAZFJJFLEHQQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O/c1-10(2)9-22(3)15-13(17)20-12(14(18)21-15)16(23)19-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H2,18,21)(H,19,23).
What are the key properties of 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-phenylpyrazine-2-carboxamide?
3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-phenylpyrazine-2-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 45254967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).