N-methyl-1-[(3S)-1-(7H-purin-6-yl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine

C18H23N7 — CID 97212210

IUPACN-methyl-1-[(3S)-1-(7H-purin-6-yl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine
SMILESCN(Cc1cccnc1)C[C@@H]1CCCN(c2ncnc3nc[nH]c23)C1
InChIInChI=1S/C18H23N7/c1-24(9-14-4-2-6-19-8-14)10-15-5-3-7-25(11-15)18-16-17(21-12-20-16)22-13-23-18/h2,4,6,8,12-13,15H,3,5,7,9-11H2,1H3,(H,20,21,22,23)/t15-/m0/s1
InChIKeyHINCOWMPVZMYTC-HNNXBMFYSA-N
MW337.43 g/mol
LogP2.10
Rot. Bonds5

About N-methyl-1-[(3S)-1-(7H-purin-6-yl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine

N-methyl-1-[(3S)-1-(7H-purin-6-yl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine (PubChem CID 97212210) has the molecular formula C18H23N7 and a molecular weight of 337.43 g/mol. Its IUPAC name is N-methyl-1-[(3S)-1-(7H-purin-6-yl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-[(3S)-1-(7H-purin-6-yl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine
PubChem CID97212210
Molecular FormulaC18H23N7
Molecular Weight337.43 g/mol
Exact Mass337.20
IUPAC NameN-methyl-1-[(3S)-1-(7H-purin-6-yl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine
SMILESCN(Cc1cccnc1)C[C@@H]1CCCN(c2ncnc3nc[nH]c23)C1
InChIInChI=1S/C18H23N7/c1-24(9-14-4-2-6-19-8-14)10-15-5-3-7-25(11-15)18-16-17(21-12-20-16)22-13-23-18/h2,4,6,8,12-13,15H,3,5,7,9-11H2,1H3,(H,20,21,22,23)/t15-/m0/s1
InChIKeyHINCOWMPVZMYTC-HNNXBMFYSA-N
XLogP2.10
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[[1-(7H-purin-6-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 146128239
1-[(3S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 129400680
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3R)-1-(7H-purin-6-yl)pyrrolidin-3-yl]methanamine
CID 100694538
N-methyl-1-[(3R)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 129336018
N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 70713449
3-[(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 129400687
N-methyl-1-(7H-purin-6-yl)piperidin-3-amine
CID 62545839
N-methyl-3-[1-(7H-purin-6-yl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 72853686
formic acid;N-[(3R,4S)-4-hydroxy-1-(7H-purin-6-yl)piperidin-3-yl]-3-pyridin-3-ylpropanamide
CID 163333701
1-[(3R)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 129400686
[1-(7H-purin-6-yl)pyrrolidin-3-yl]methanamine
CID 62061504
4-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 54928175

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(3S)-1-(7H-purin-6-yl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine?
The IUPAC name of N-methyl-1-[(3S)-1-(7H-purin-6-yl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine (CID 97212210) is N-methyl-1-[(3S)-1-(7H-purin-6-yl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for N-methyl-1-[(3S)-1-(7H-purin-6-yl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine?
The canonical SMILES for N-methyl-1-[(3S)-1-(7H-purin-6-yl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine is CN(Cc1cccnc1)C[C@@H]1CCCN(c2ncnc3nc[nH]c23)C1.
What is the InChIKey of N-methyl-1-[(3S)-1-(7H-purin-6-yl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine?
The InChIKey is HINCOWMPVZMYTC-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N7/c1-24(9-14-4-2-6-19-8-14)10-15-5-3-7-25(11-15)18-16-17(21-12-20-16)22-13-23-18/h2,4,6,8,12-13,15H,3,5,7,9-11H2,1H3,(H,20,21,22,23)/t15-/m0/s1.
What are the key properties of N-methyl-1-[(3S)-1-(7H-purin-6-yl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine?
N-methyl-1-[(3S)-1-(7H-purin-6-yl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine has a molecular weight of 337.43 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(3S)-1-(7H-purin-6-yl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 97212210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).