N-(2-amino-2-oxoethyl)-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide

C15H23N5O2 — CID 110090164

IUPACN-(2-amino-2-oxoethyl)-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide
SMILESCc1nc(CCC(=O)NCC(N)=O)cc(C2CCNCC2)n1
InChIInChI=1S/C15H23N5O2/c1-10-19-12(2-3-15(22)18-9-14(16)21)8-13(20-10)11-4-6-17-7-5-11/h8,11,17H,2-7,9H2,1H3,(H2,16,21)(H,18,22)
InChIKeyHOXRNYALVKGZEC-UHFFFAOYSA-N
MW305.38 g/mol
LogP-0.21
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide

N-(2-amino-2-oxoethyl)-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide (PubChem CID 110090164) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide
PubChem CID110090164
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC NameN-(2-amino-2-oxoethyl)-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide
SMILESCc1nc(CCC(=O)NCC(N)=O)cc(C2CCNCC2)n1
InChIInChI=1S/C15H23N5O2/c1-10-19-12(2-3-15(22)18-9-14(16)21)8-13(20-10)11-4-6-17-7-5-11/h8,11,17H,2-7,9H2,1H3,(H2,16,21)(H,18,22)
InChIKeyHOXRNYALVKGZEC-UHFFFAOYSA-N
XLogP-0.21
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide (CID 110090164) is N-(2-amino-2-oxoethyl)-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide is Cc1nc(CCC(=O)NCC(N)=O)cc(C2CCNCC2)n1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide?
The InChIKey is HOXRNYALVKGZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-10-19-12(2-3-15(22)18-9-14(16)21)8-13(20-10)11-4-6-17-7-5-11/h8,11,17H,2-7,9H2,1H3,(H2,16,21)(H,18,22).
What are the key properties of N-(2-amino-2-oxoethyl)-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide?
N-(2-amino-2-oxoethyl)-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide has a molecular weight of 305.38 g/mol, XLogP of -0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)propanamide is sourced from PubChem (CID 110090164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).