N-methyl-3-[2-methyl-6-(1-propan-2-ylpiperidin-2-yl)pyrimidin-4-yl]propanamide

C17H28N4O — CID 118739827

IUPACN-methyl-3-[2-methyl-6-(1-propan-2-ylpiperidin-2-yl)pyrimidin-4-yl]propanamide
SMILESCNC(=O)CCc1cc(C2CCCCN2C(C)C)nc(C)n1
InChIInChI=1S/C17H28N4O/c1-12(2)21-10-6-5-7-16(21)15-11-14(19-13(3)20-15)8-9-17(22)18-4/h11-12,16H,5-10H2,1-4H3,(H,18,22)
InChIKeyROAWTQMISNSQTO-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.40
Rot. Bonds5

About N-methyl-3-[2-methyl-6-(1-propan-2-ylpiperidin-2-yl)pyrimidin-4-yl]propanamide

N-methyl-3-[2-methyl-6-(1-propan-2-ylpiperidin-2-yl)pyrimidin-4-yl]propanamide (PubChem CID 118739827) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is N-methyl-3-[2-methyl-6-(1-propan-2-ylpiperidin-2-yl)pyrimidin-4-yl]propanamide.

Molecular Properties

Compound NameN-methyl-3-[2-methyl-6-(1-propan-2-ylpiperidin-2-yl)pyrimidin-4-yl]propanamide
PubChem CID118739827
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC NameN-methyl-3-[2-methyl-6-(1-propan-2-ylpiperidin-2-yl)pyrimidin-4-yl]propanamide
SMILESCNC(=O)CCc1cc(C2CCCCN2C(C)C)nc(C)n1
InChIInChI=1S/C17H28N4O/c1-12(2)21-10-6-5-7-16(21)15-11-14(19-13(3)20-15)8-9-17(22)18-4/h11-12,16H,5-10H2,1-4H3,(H,18,22)
InChIKeyROAWTQMISNSQTO-UHFFFAOYSA-N
XLogP2.40
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-methyl-6-(1-propan-2-ylpiperidin-2-yl)pyrimidin-4-yl]propanamide?
The IUPAC name of N-methyl-3-[2-methyl-6-(1-propan-2-ylpiperidin-2-yl)pyrimidin-4-yl]propanamide (CID 118739827) is N-methyl-3-[2-methyl-6-(1-propan-2-ylpiperidin-2-yl)pyrimidin-4-yl]propanamide.
What is the SMILES notation for N-methyl-3-[2-methyl-6-(1-propan-2-ylpiperidin-2-yl)pyrimidin-4-yl]propanamide?
The canonical SMILES for N-methyl-3-[2-methyl-6-(1-propan-2-ylpiperidin-2-yl)pyrimidin-4-yl]propanamide is CNC(=O)CCc1cc(C2CCCCN2C(C)C)nc(C)n1.
What is the InChIKey of N-methyl-3-[2-methyl-6-(1-propan-2-ylpiperidin-2-yl)pyrimidin-4-yl]propanamide?
The InChIKey is ROAWTQMISNSQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-12(2)21-10-6-5-7-16(21)15-11-14(19-13(3)20-15)8-9-17(22)18-4/h11-12,16H,5-10H2,1-4H3,(H,18,22).
What are the key properties of N-methyl-3-[2-methyl-6-(1-propan-2-ylpiperidin-2-yl)pyrimidin-4-yl]propanamide?
N-methyl-3-[2-methyl-6-(1-propan-2-ylpiperidin-2-yl)pyrimidin-4-yl]propanamide has a molecular weight of 304.44 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-methyl-6-(1-propan-2-ylpiperidin-2-yl)pyrimidin-4-yl]propanamide is sourced from PubChem (CID 118739827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).