N,N-dimethyl-2-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]acetamide

C20H28N6O — CID 95843766

IUPACN,N-dimethyl-2-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]acetamide
SMILESCc1cccc(Nc2cc(CC3CCN(CC(=O)N(C)C)CC3)ncn2)n1
InChIInChI=1S/C20H28N6O/c1-15-5-4-6-18(23-15)24-19-12-17(21-14-22-19)11-16-7-9-26(10-8-16)13-20(27)25(2)3/h4-6,12,14,16H,7-11,13H2,1-3H3,(H,21,22,23,24)
InChIKeyHWXUDQLYTPYBCH-UHFFFAOYSA-N
MW368.49 g/mol
LogP2.27
Rot. Bonds6

About N,N-dimethyl-2-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]acetamide

N,N-dimethyl-2-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]acetamide (PubChem CID 95843766) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]acetamide
PubChem CID95843766
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC NameN,N-dimethyl-2-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]acetamide
SMILESCc1cccc(Nc2cc(CC3CCN(CC(=O)N(C)C)CC3)ncn2)n1
InChIInChI=1S/C20H28N6O/c1-15-5-4-6-18(23-15)24-19-12-17(21-14-22-19)11-16-7-9-26(10-8-16)13-20(27)25(2)3/h4-6,12,14,16H,7-11,13H2,1-3H3,(H,21,22,23,24)
InChIKeyHWXUDQLYTPYBCH-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-2-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]acetamide 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

1-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one
CID 95843641
2-methyl-1-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one
CID 95843498
2-[(3S)-3-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propane-1,3-diol
CID 95844665
N,N-dimethyl-2-[4-[[6-(pyridin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]acetamide
CID 95815288
1-[4-[[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone
CID 95821893
N,N-dimethyl-2-[2-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide
CID 110270567
1-[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone
CID 95830306
1-[4-[[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-2-methoxyethanone
CID 95822478
1-[(3S)-3-[[6-(methylamino)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]ethanone
CID 95841407
N,N-dimethyl-2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]acetamide
CID 144655106
2-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]acetamide
CID 54895410
N,N-dimethyl-2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]acetamide
CID 95817458

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]acetamide (CID 95843766) is N,N-dimethyl-2-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]acetamide is Cc1cccc(Nc2cc(CC3CCN(CC(=O)N(C)C)CC3)ncn2)n1.
What is the InChIKey of N,N-dimethyl-2-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]acetamide?
The InChIKey is HWXUDQLYTPYBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-15-5-4-6-18(23-15)24-19-12-17(21-14-22-19)11-16-7-9-26(10-8-16)13-20(27)25(2)3/h4-6,12,14,16H,7-11,13H2,1-3H3,(H,21,22,23,24).
What are the key properties of N,N-dimethyl-2-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]acetamide?
N,N-dimethyl-2-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]acetamide has a molecular weight of 368.49 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 95843766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).