N-methyl-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide

C16H25N5O — CID 56713366

IUPACN-methyl-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide
SMILESCNC(=O)C1CCN(c2cc(C3CCNCC3)nc(C)n2)C1
InChIInChI=1S/C16H25N5O/c1-11-19-14(12-3-6-18-7-4-12)9-15(20-11)21-8-5-13(10-21)16(22)17-2/h9,12-13,18H,3-8,10H2,1-2H3,(H,17,22)
InChIKeyMPLNAZJGFQZMNJ-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.82
Rot. Bonds3

About N-methyl-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide

N-methyl-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide (PubChem CID 56713366) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide
PubChem CID56713366
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC NameN-methyl-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide
SMILESCNC(=O)C1CCN(c2cc(C3CCNCC3)nc(C)n2)C1
InChIInChI=1S/C16H25N5O/c1-11-19-14(12-3-6-18-7-4-12)9-15(20-11)21-8-5-13(10-21)16(22)17-2/h9,12-13,18H,3-8,10H2,1-2H3,(H,17,22)
InChIKeyMPLNAZJGFQZMNJ-UHFFFAOYSA-N
XLogP0.82
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide (CID 56713366) is N-methyl-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide is CNC(=O)C1CCN(c2cc(C3CCNCC3)nc(C)n2)C1.
What is the InChIKey of N-methyl-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is MPLNAZJGFQZMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-11-19-14(12-3-6-18-7-4-12)9-15(20-11)21-8-5-13(10-21)16(22)17-2/h9,12-13,18H,3-8,10H2,1-2H3,(H,17,22).
What are the key properties of N-methyl-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide?
N-methyl-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 56713366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).