N-[[6-(dimethylamino)-2-[(2R)-piperidin-2-yl]pyrimidin-4-yl]methyl]-N-methyl-2-pyridin-2-ylacetamide

C20H28N6O — CID 92624284

IUPACN-[[6-(dimethylamino)-2-[(2R)-piperidin-2-yl]pyrimidin-4-yl]methyl]-N-methyl-2-pyridin-2-ylacetamide
SMILESCN(Cc1cc(N(C)C)nc([C@H]2CCCCN2)n1)C(=O)Cc1ccccn1
InChIInChI=1S/C20H28N6O/c1-25(2)18-12-16(23-20(24-18)17-9-5-7-11-22-17)14-26(3)19(27)13-15-8-4-6-10-21-15/h4,6,8,10,12,17,22H,5,7,9,11,13-14H2,1-3H3/t17-/m1/s1
InChIKeyNOHDYPBUXOJGGN-QGZVFWFLSA-N
MW368.49 g/mol
LogP1.95
Rot. Bonds6

About N-[[6-(dimethylamino)-2-[(2R)-piperidin-2-yl]pyrimidin-4-yl]methyl]-N-methyl-2-pyridin-2-ylacetamide

N-[[6-(dimethylamino)-2-[(2R)-piperidin-2-yl]pyrimidin-4-yl]methyl]-N-methyl-2-pyridin-2-ylacetamide (PubChem CID 92624284) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is N-[[6-(dimethylamino)-2-[(2R)-piperidin-2-yl]pyrimidin-4-yl]methyl]-N-methyl-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[[6-(dimethylamino)-2-[(2R)-piperidin-2-yl]pyrimidin-4-yl]methyl]-N-methyl-2-pyridin-2-ylacetamide
PubChem CID92624284
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC NameN-[[6-(dimethylamino)-2-[(2R)-piperidin-2-yl]pyrimidin-4-yl]methyl]-N-methyl-2-pyridin-2-ylacetamide
SMILESCN(Cc1cc(N(C)C)nc([C@H]2CCCCN2)n1)C(=O)Cc1ccccn1
InChIInChI=1S/C20H28N6O/c1-25(2)18-12-16(23-20(24-18)17-9-5-7-11-22-17)14-26(3)19(27)13-15-8-4-6-10-21-15/h4,6,8,10,12,17,22H,5,7,9,11,13-14H2,1-3H3/t17-/m1/s1
InChIKeyNOHDYPBUXOJGGN-QGZVFWFLSA-N
XLogP1.95
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(dimethylamino)-2-[(2R)-piperidin-2-yl]pyrimidin-4-yl]methyl]-N-methyl-2-pyridin-2-ylacetamide?
The IUPAC name of N-[[6-(dimethylamino)-2-[(2R)-piperidin-2-yl]pyrimidin-4-yl]methyl]-N-methyl-2-pyridin-2-ylacetamide (CID 92624284) is N-[[6-(dimethylamino)-2-[(2R)-piperidin-2-yl]pyrimidin-4-yl]methyl]-N-methyl-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[[6-(dimethylamino)-2-[(2R)-piperidin-2-yl]pyrimidin-4-yl]methyl]-N-methyl-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[[6-(dimethylamino)-2-[(2R)-piperidin-2-yl]pyrimidin-4-yl]methyl]-N-methyl-2-pyridin-2-ylacetamide is CN(Cc1cc(N(C)C)nc([C@H]2CCCCN2)n1)C(=O)Cc1ccccn1.
What is the InChIKey of N-[[6-(dimethylamino)-2-[(2R)-piperidin-2-yl]pyrimidin-4-yl]methyl]-N-methyl-2-pyridin-2-ylacetamide?
The InChIKey is NOHDYPBUXOJGGN-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H28N6O/c1-25(2)18-12-16(23-20(24-18)17-9-5-7-11-22-17)14-26(3)19(27)13-15-8-4-6-10-21-15/h4,6,8,10,12,17,22H,5,7,9,11,13-14H2,1-3H3/t17-/m1/s1.
What are the key properties of N-[[6-(dimethylamino)-2-[(2R)-piperidin-2-yl]pyrimidin-4-yl]methyl]-N-methyl-2-pyridin-2-ylacetamide?
N-[[6-(dimethylamino)-2-[(2R)-piperidin-2-yl]pyrimidin-4-yl]methyl]-N-methyl-2-pyridin-2-ylacetamide has a molecular weight of 368.49 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(dimethylamino)-2-[(2R)-piperidin-2-yl]pyrimidin-4-yl]methyl]-N-methyl-2-pyridin-2-ylacetamide is sourced from PubChem (CID 92624284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).