2-methyl-1-[4-[[3-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one

C19H25N5O — CID 95823743

IUPAC2-methyl-1-[4-[[3-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(Cc2nccnc2Nc2ccccn2)CC1
InChIInChI=1S/C19H25N5O/c1-14(2)19(25)24-11-6-15(7-12-24)13-16-18(22-10-9-20-16)23-17-5-3-4-8-21-17/h3-5,8-10,14-15H,6-7,11-13H2,1-2H3,(H,21,22,23)
InChIKeyKGJOJYFEYIGFAW-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.05
Rot. Bonds5

About 2-methyl-1-[4-[[3-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one

2-methyl-1-[4-[[3-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one (PubChem CID 95823743) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-methyl-1-[4-[[3-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-[[3-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one
PubChem CID95823743
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name2-methyl-1-[4-[[3-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(Cc2nccnc2Nc2ccccn2)CC1
InChIInChI=1S/C19H25N5O/c1-14(2)19(25)24-11-6-15(7-12-24)13-16-18(22-10-9-20-16)23-17-5-3-4-8-21-17/h3-5,8-10,14-15H,6-7,11-13H2,1-2H3,(H,21,22,23)
InChIKeyKGJOJYFEYIGFAW-UHFFFAOYSA-N
XLogP3.05
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[[3-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-[[3-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one (CID 95823743) is 2-methyl-1-[4-[[3-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-[[3-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-[[3-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one is CC(C)C(=O)N1CCC(Cc2nccnc2Nc2ccccn2)CC1.
What is the InChIKey of 2-methyl-1-[4-[[3-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one?
The InChIKey is KGJOJYFEYIGFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-14(2)19(25)24-11-6-15(7-12-24)13-16-18(22-10-9-20-16)23-17-5-3-4-8-21-17/h3-5,8-10,14-15H,6-7,11-13H2,1-2H3,(H,21,22,23).
What are the key properties of 2-methyl-1-[4-[[3-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one?
2-methyl-1-[4-[[3-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one has a molecular weight of 339.44 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[[3-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95823743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).