3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-pyridin-4-ylpyrazine-2-carboxamide

C15H19ClN6O — CID 45255801

IUPAC3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-pyridin-4-ylpyrazine-2-carboxamide
SMILESCC(C)CN(C)c1nc(N)c(C(=O)Nc2ccncc2)nc1Cl
InChIInChI=1S/C15H19ClN6O/c1-9(2)8-22(3)14-12(16)20-11(13(17)21-14)15(23)19-10-4-6-18-7-5-10/h4-7,9H,8H2,1-3H3,(H2,17,21)(H,18,19,23)
InChIKeyYXMADLGYFKKABZ-UHFFFAOYSA-N
MW334.81 g/mol
LogP2.45
Rot. Bonds5

About 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-pyridin-4-ylpyrazine-2-carboxamide

3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-pyridin-4-ylpyrazine-2-carboxamide (PubChem CID 45255801) has the molecular formula C15H19ClN6O and a molecular weight of 334.81 g/mol. Its IUPAC name is 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-pyridin-4-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-pyridin-4-ylpyrazine-2-carboxamide
PubChem CID45255801
Molecular FormulaC15H19ClN6O
Molecular Weight334.81 g/mol
Exact Mass334.13
IUPAC Name3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-pyridin-4-ylpyrazine-2-carboxamide
SMILESCC(C)CN(C)c1nc(N)c(C(=O)Nc2ccncc2)nc1Cl
InChIInChI=1S/C15H19ClN6O/c1-9(2)8-22(3)14-12(16)20-11(13(17)21-14)15(23)19-10-4-6-18-7-5-10/h4-7,9H,8H2,1-3H3,(H2,17,21)(H,18,19,23)
InChIKeyYXMADLGYFKKABZ-UHFFFAOYSA-N
XLogP2.45
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-pyridin-4-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-pyridin-4-ylpyrazine-2-carboxamide (CID 45255801) is 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-pyridin-4-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-pyridin-4-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-pyridin-4-ylpyrazine-2-carboxamide is CC(C)CN(C)c1nc(N)c(C(=O)Nc2ccncc2)nc1Cl.
What is the InChIKey of 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-pyridin-4-ylpyrazine-2-carboxamide?
The InChIKey is YXMADLGYFKKABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN6O/c1-9(2)8-22(3)14-12(16)20-11(13(17)21-14)15(23)19-10-4-6-18-7-5-10/h4-7,9H,8H2,1-3H3,(H2,17,21)(H,18,19,23).
What are the key properties of 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-pyridin-4-ylpyrazine-2-carboxamide?
3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-pyridin-4-ylpyrazine-2-carboxamide has a molecular weight of 334.81 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-pyridin-4-ylpyrazine-2-carboxamide is sourced from PubChem (CID 45255801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).