[2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone

C25H29N5O2 — CID 110218379

IUPAC[2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCCCC2c2nc(N(C)C)ncc2-c2ccncc2C)c1
InChIInChI=1S/C25H29N5O2/c1-17-15-26-12-11-20(17)21-16-27-25(29(2)3)28-23(21)22-10-5-6-13-30(22)24(31)18-8-7-9-19(14-18)32-4/h7-9,11-12,14-16,22H,5-6,10,13H2,1-4H3
InChIKeyGLUGMNXDYKRIID-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.29
Rot. Bonds5

About [2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone

[2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone (PubChem CID 110218379) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is [2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone
PubChem CID110218379
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name[2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCCCC2c2nc(N(C)C)ncc2-c2ccncc2C)c1
InChIInChI=1S/C25H29N5O2/c1-17-15-26-12-11-20(17)21-16-27-25(29(2)3)28-23(21)22-10-5-6-13-30(22)24(31)18-8-7-9-19(14-18)32-4/h7-9,11-12,14-16,22H,5-6,10,13H2,1-4H3
InChIKeyGLUGMNXDYKRIID-UHFFFAOYSA-N
XLogP4.29
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 92563591
[(2R)-2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 92563590
1-[2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone
CID 110245839
[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 110218333
1-[(2R)-2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-2-pyridin-2-yloxyethanone
CID 92563547
1-[2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-2-pyridin-2-yloxyethanone
CID 110218404
1-[2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(4-methoxy-3-methylphenyl)ethanone
CID 110218163
4-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N,N-dimethyl-5-(3-methyl-4-pyridinyl)pyrimidin-2-amine
CID 92563624
1-[(2R)-2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 92563650
(3-methoxyphenyl)-[2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 91913590
[(2R)-2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 92554449
2-cyclohexyl-1-[2-[2-(dimethylamino)-5-(3-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110266059

Frequently Asked Questions

What is the IUPAC name of [2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone (CID 110218379) is [2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCCCC2c2nc(N(C)C)ncc2-c2ccncc2C)c1.
What is the InChIKey of [2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone?
The InChIKey is GLUGMNXDYKRIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-17-15-26-12-11-20(17)21-16-27-25(29(2)3)28-23(21)22-10-5-6-13-30(22)24(31)18-8-7-9-19(14-18)32-4/h7-9,11-12,14-16,22H,5-6,10,13H2,1-4H3.
What are the key properties of [2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone?
[2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone has a molecular weight of 431.54 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 110218379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).