5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(3-pyridin-4-ylanilino)pyrazine-2-carboxamide

C22H25N7O2 — CID 71572165

IUPAC5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(3-pyridin-4-ylanilino)pyrazine-2-carboxamide
SMILESCC(C)C[C@@H](Nc1cnc(C(N)=O)c(Nc2cccc(-c3ccncc3)c2)n1)C(N)=O
InChIInChI=1S/C22H25N7O2/c1-13(2)10-17(20(23)30)28-18-12-26-19(21(24)31)22(29-18)27-16-5-3-4-15(11-16)14-6-8-25-9-7-14/h3-9,11-13,17H,10H2,1-2H3,(H2,23,30)(H2,24,31)(H2,27,28,29)/t17-/m1/s1
InChIKeyWZUYMTUHVBKXLC-QGZVFWFLSA-N
MW419.49 g/mol
LogP2.69
Rot. Bonds9

About 5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(3-pyridin-4-ylanilino)pyrazine-2-carboxamide

5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(3-pyridin-4-ylanilino)pyrazine-2-carboxamide (PubChem CID 71572165) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is 5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(3-pyridin-4-ylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(3-pyridin-4-ylanilino)pyrazine-2-carboxamide
PubChem CID71572165
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC Name5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(3-pyridin-4-ylanilino)pyrazine-2-carboxamide
SMILESCC(C)C[C@@H](Nc1cnc(C(N)=O)c(Nc2cccc(-c3ccncc3)c2)n1)C(N)=O
InChIInChI=1S/C22H25N7O2/c1-13(2)10-17(20(23)30)28-18-12-26-19(21(24)31)22(29-18)27-16-5-3-4-15(11-16)14-6-8-25-9-7-14/h3-9,11-13,17H,10H2,1-2H3,(H2,23,30)(H2,24,31)(H2,27,28,29)/t17-/m1/s1
InChIKeyWZUYMTUHVBKXLC-QGZVFWFLSA-N
XLogP2.69
TPSA148.91 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(3-pyridin-4-ylanilino)pyrazine-2-carboxamide?
The IUPAC name of 5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(3-pyridin-4-ylanilino)pyrazine-2-carboxamide (CID 71572165) is 5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(3-pyridin-4-ylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(3-pyridin-4-ylanilino)pyrazine-2-carboxamide?
The canonical SMILES for 5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(3-pyridin-4-ylanilino)pyrazine-2-carboxamide is CC(C)C[C@@H](Nc1cnc(C(N)=O)c(Nc2cccc(-c3ccncc3)c2)n1)C(N)=O.
What is the InChIKey of 5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(3-pyridin-4-ylanilino)pyrazine-2-carboxamide?
The InChIKey is WZUYMTUHVBKXLC-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-13(2)10-17(20(23)30)28-18-12-26-19(21(24)31)22(29-18)27-16-5-3-4-15(11-16)14-6-8-25-9-7-14/h3-9,11-13,17H,10H2,1-2H3,(H2,23,30)(H2,24,31)(H2,27,28,29)/t17-/m1/s1.
What are the key properties of 5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(3-pyridin-4-ylanilino)pyrazine-2-carboxamide?
5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(3-pyridin-4-ylanilino)pyrazine-2-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 2.69, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(3-pyridin-4-ylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 71572165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).