N-[[6-amino-2-methyl-5-[6-methyl-2-oxo-3-(propan-2-ylamino)pyrazin-1-yl]-3-pyridinyl]methyl]acetamide

C17H24N6O2 — CID 54564894

IUPACN-[[6-amino-2-methyl-5-[6-methyl-2-oxo-3-(propan-2-ylamino)pyrazin-1-yl]-3-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cc(-n2c(C)cnc(NC(C)C)c2=O)c(N)nc1C
InChIInChI=1S/C17H24N6O2/c1-9(2)21-16-17(25)23(10(3)7-20-16)14-6-13(8-19-12(5)24)11(4)22-15(14)18/h6-7,9H,8H2,1-5H3,(H2,18,22)(H,19,24)(H,20,21)
InChIKeyZTCNUHAMHPEPNU-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.28
Rot. Bonds5

About N-[[6-amino-2-methyl-5-[6-methyl-2-oxo-3-(propan-2-ylamino)pyrazin-1-yl]-3-pyridinyl]methyl]acetamide

N-[[6-amino-2-methyl-5-[6-methyl-2-oxo-3-(propan-2-ylamino)pyrazin-1-yl]-3-pyridinyl]methyl]acetamide (PubChem CID 54564894) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[[6-amino-2-methyl-5-[6-methyl-2-oxo-3-(propan-2-ylamino)pyrazin-1-yl]-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-amino-2-methyl-5-[6-methyl-2-oxo-3-(propan-2-ylamino)pyrazin-1-yl]-3-pyridinyl]methyl]acetamide
PubChem CID54564894
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC NameN-[[6-amino-2-methyl-5-[6-methyl-2-oxo-3-(propan-2-ylamino)pyrazin-1-yl]-3-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cc(-n2c(C)cnc(NC(C)C)c2=O)c(N)nc1C
InChIInChI=1S/C17H24N6O2/c1-9(2)21-16-17(25)23(10(3)7-20-16)14-6-13(8-19-12(5)24)11(4)22-15(14)18/h6-7,9H,8H2,1-5H3,(H2,18,22)(H,19,24)(H,20,21)
InChIKeyZTCNUHAMHPEPNU-UHFFFAOYSA-N
XLogP1.28
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[6-amino-2-methyl-5-[6-methyl-2-oxo-3-(propan-2-ylamino)pyrazin-1-yl]-3-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[6-amino-2-methyl-5-[6-methyl-2-oxo-3-(propan-2-ylamino)pyrazin-1-yl]-3-pyridinyl]methyl]acetamide (CID 54564894) is N-[[6-amino-2-methyl-5-[6-methyl-2-oxo-3-(propan-2-ylamino)pyrazin-1-yl]-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[6-amino-2-methyl-5-[6-methyl-2-oxo-3-(propan-2-ylamino)pyrazin-1-yl]-3-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[6-amino-2-methyl-5-[6-methyl-2-oxo-3-(propan-2-ylamino)pyrazin-1-yl]-3-pyridinyl]methyl]acetamide is CC(=O)NCc1cc(-n2c(C)cnc(NC(C)C)c2=O)c(N)nc1C.
What is the InChIKey of N-[[6-amino-2-methyl-5-[6-methyl-2-oxo-3-(propan-2-ylamino)pyrazin-1-yl]-3-pyridinyl]methyl]acetamide?
The InChIKey is ZTCNUHAMHPEPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-9(2)21-16-17(25)23(10(3)7-20-16)14-6-13(8-19-12(5)24)11(4)22-15(14)18/h6-7,9H,8H2,1-5H3,(H2,18,22)(H,19,24)(H,20,21).
What are the key properties of N-[[6-amino-2-methyl-5-[6-methyl-2-oxo-3-(propan-2-ylamino)pyrazin-1-yl]-3-pyridinyl]methyl]acetamide?
N-[[6-amino-2-methyl-5-[6-methyl-2-oxo-3-(propan-2-ylamino)pyrazin-1-yl]-3-pyridinyl]methyl]acetamide has a molecular weight of 344.42 g/mol, XLogP of 1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-amino-2-methyl-5-[6-methyl-2-oxo-3-(propan-2-ylamino)pyrazin-1-yl]-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 54564894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).