N-[[4-(dimethylamino)-6-[(3R)-piperidin-3-yl]pyrimidin-2-yl]methyl]-N-methyl-2-(2-methylquinolin-4-yl)oxyacetamide

C25H32N6O2 — CID 92624383

IUPACN-[[4-(dimethylamino)-6-[(3R)-piperidin-3-yl]pyrimidin-2-yl]methyl]-N-methyl-2-(2-methylquinolin-4-yl)oxyacetamide
SMILESCc1cc(OCC(=O)N(C)Cc2nc([C@@H]3CCCNC3)cc(N(C)C)n2)c2ccccc2n1
InChIInChI=1S/C25H32N6O2/c1-17-12-22(19-9-5-6-10-20(19)27-17)33-16-25(32)31(4)15-23-28-21(13-24(29-23)30(2)3)18-8-7-11-26-14-18/h5-6,9-10,12-13,18,26H,7-8,11,14-16H2,1-4H3/t18-/m1/s1
InChIKeyNYYIFEVIENHRTC-GOSISDBHSA-N
MW448.57 g/mol
LogP2.90
Rot. Bonds7

About N-[[4-(dimethylamino)-6-[(3R)-piperidin-3-yl]pyrimidin-2-yl]methyl]-N-methyl-2-(2-methylquinolin-4-yl)oxyacetamide

N-[[4-(dimethylamino)-6-[(3R)-piperidin-3-yl]pyrimidin-2-yl]methyl]-N-methyl-2-(2-methylquinolin-4-yl)oxyacetamide (PubChem CID 92624383) has the molecular formula C25H32N6O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-[(3R)-piperidin-3-yl]pyrimidin-2-yl]methyl]-N-methyl-2-(2-methylquinolin-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-6-[(3R)-piperidin-3-yl]pyrimidin-2-yl]methyl]-N-methyl-2-(2-methylquinolin-4-yl)oxyacetamide
PubChem CID92624383
Molecular FormulaC25H32N6O2
Molecular Weight448.57 g/mol
Exact Mass448.26
IUPAC NameN-[[4-(dimethylamino)-6-[(3R)-piperidin-3-yl]pyrimidin-2-yl]methyl]-N-methyl-2-(2-methylquinolin-4-yl)oxyacetamide
SMILESCc1cc(OCC(=O)N(C)Cc2nc([C@@H]3CCCNC3)cc(N(C)C)n2)c2ccccc2n1
InChIInChI=1S/C25H32N6O2/c1-17-12-22(19-9-5-6-10-20(19)27-17)33-16-25(32)31(4)15-23-28-21(13-24(29-23)30(2)3)18-8-7-11-26-14-18/h5-6,9-10,12-13,18,26H,7-8,11,14-16H2,1-4H3/t18-/m1/s1
InChIKeyNYYIFEVIENHRTC-GOSISDBHSA-N
XLogP2.90
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-6-[(3R)-piperidin-3-yl]pyrimidin-2-yl]methyl]-N-methyl-2-(2-methylquinolin-4-yl)oxyacetamide?
The IUPAC name of N-[[4-(dimethylamino)-6-[(3R)-piperidin-3-yl]pyrimidin-2-yl]methyl]-N-methyl-2-(2-methylquinolin-4-yl)oxyacetamide (CID 92624383) is N-[[4-(dimethylamino)-6-[(3R)-piperidin-3-yl]pyrimidin-2-yl]methyl]-N-methyl-2-(2-methylquinolin-4-yl)oxyacetamide.
What is the SMILES notation for N-[[4-(dimethylamino)-6-[(3R)-piperidin-3-yl]pyrimidin-2-yl]methyl]-N-methyl-2-(2-methylquinolin-4-yl)oxyacetamide?
The canonical SMILES for N-[[4-(dimethylamino)-6-[(3R)-piperidin-3-yl]pyrimidin-2-yl]methyl]-N-methyl-2-(2-methylquinolin-4-yl)oxyacetamide is Cc1cc(OCC(=O)N(C)Cc2nc([C@@H]3CCCNC3)cc(N(C)C)n2)c2ccccc2n1.
What is the InChIKey of N-[[4-(dimethylamino)-6-[(3R)-piperidin-3-yl]pyrimidin-2-yl]methyl]-N-methyl-2-(2-methylquinolin-4-yl)oxyacetamide?
The InChIKey is NYYIFEVIENHRTC-GOSISDBHSA-N. The full InChI is InChI=1S/C25H32N6O2/c1-17-12-22(19-9-5-6-10-20(19)27-17)33-16-25(32)31(4)15-23-28-21(13-24(29-23)30(2)3)18-8-7-11-26-14-18/h5-6,9-10,12-13,18,26H,7-8,11,14-16H2,1-4H3/t18-/m1/s1.
What are the key properties of N-[[4-(dimethylamino)-6-[(3R)-piperidin-3-yl]pyrimidin-2-yl]methyl]-N-methyl-2-(2-methylquinolin-4-yl)oxyacetamide?
N-[[4-(dimethylamino)-6-[(3R)-piperidin-3-yl]pyrimidin-2-yl]methyl]-N-methyl-2-(2-methylquinolin-4-yl)oxyacetamide has a molecular weight of 448.57 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-6-[(3R)-piperidin-3-yl]pyrimidin-2-yl]methyl]-N-methyl-2-(2-methylquinolin-4-yl)oxyacetamide is sourced from PubChem (CID 92624383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).