N-methyl-3-[1-(7H-purin-6-yl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide

C21H27N7O — CID 72853686

IUPACN-methyl-3-[1-(7H-purin-6-yl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide
SMILESCN(CCc1ccccn1)C(=O)CCC1CCCN(c2ncnc3nc[nH]c23)C1
InChIInChI=1S/C21H27N7O/c1-27(12-9-17-6-2-3-10-22-17)18(29)8-7-16-5-4-11-28(13-16)21-19-20(24-14-23-19)25-15-26-21/h2-3,6,10,14-16H,4-5,7-9,11-13H2,1H3,(H,23,24,25,26)
InChIKeyFKGQMZGJDUYXED-UHFFFAOYSA-N
MW393.50 g/mol
LogP2.45
Rot. Bonds7

About N-methyl-3-[1-(7H-purin-6-yl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide

N-methyl-3-[1-(7H-purin-6-yl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 72853686) has the molecular formula C21H27N7O and a molecular weight of 393.50 g/mol. Its IUPAC name is N-methyl-3-[1-(7H-purin-6-yl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound NameN-methyl-3-[1-(7H-purin-6-yl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide
PubChem CID72853686
Molecular FormulaC21H27N7O
Molecular Weight393.50 g/mol
Exact Mass393.23
IUPAC NameN-methyl-3-[1-(7H-purin-6-yl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide
SMILESCN(CCc1ccccn1)C(=O)CCC1CCCN(c2ncnc3nc[nH]c23)C1
InChIInChI=1S/C21H27N7O/c1-27(12-9-17-6-2-3-10-22-17)18(29)8-7-16-5-4-11-28(13-16)21-19-20(24-14-23-19)25-15-26-21/h2-3,6,10,14-16H,4-5,7-9,11-13H2,1H3,(H,23,24,25,26)
InChIKeyFKGQMZGJDUYXED-UHFFFAOYSA-N
XLogP2.45
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.50
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-3-[1-(7H-purin-6-yl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide 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

3-[1-(3-chloro-2-pyridinyl)piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 45186154
N-methyl-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 45248367
3-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 26401309
N-methyl-3-[(3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 97269848
3-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 56746231
N-methyl-3-[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 25289755
N-methyl-N-(2-pyridin-2-ylethyl)-3-[1-(2-pyridin-4-ylsulfanylacetyl)piperidin-3-yl]propanamide
CID 45232878
N-methyl-N-(2-pyridin-2-ylethyl)-3-[(3S)-1-(2-thiophen-2-ylacetyl)piperidin-3-yl]propanamide
CID 26410200
N-methyl-3-[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 97282681
3-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 45218930
3-[(3S)-1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 42194864
N-methyl-3-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 45178210

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[1-(7H-purin-6-yl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide?
The IUPAC name of N-methyl-3-[1-(7H-purin-6-yl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide (CID 72853686) is N-methyl-3-[1-(7H-purin-6-yl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for N-methyl-3-[1-(7H-purin-6-yl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide?
The canonical SMILES for N-methyl-3-[1-(7H-purin-6-yl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide is CN(CCc1ccccn1)C(=O)CCC1CCCN(c2ncnc3nc[nH]c23)C1.
What is the InChIKey of N-methyl-3-[1-(7H-purin-6-yl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide?
The InChIKey is FKGQMZGJDUYXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O/c1-27(12-9-17-6-2-3-10-22-17)18(29)8-7-16-5-4-11-28(13-16)21-19-20(24-14-23-19)25-15-26-21/h2-3,6,10,14-16H,4-5,7-9,11-13H2,1H3,(H,23,24,25,26).
What are the key properties of N-methyl-3-[1-(7H-purin-6-yl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide?
N-methyl-3-[1-(7H-purin-6-yl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 393.50 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[1-(7H-purin-6-yl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 72853686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).