N-[3-[6-(pyridin-3-ylmethylamino)purin-9-yl]cyclobutyl]morpholine-4-carboxamide

C20H24N8O2 — CID 163568582

IUPACN-[3-[6-(pyridin-3-ylmethylamino)purin-9-yl]cyclobutyl]morpholine-4-carboxamide
SMILESO=C(NC1CC(n2cnc3c(NCc4cccnc4)ncnc32)C1)N1CCOCC1
InChIInChI=1S/C20H24N8O2/c29-20(27-4-6-30-7-5-27)26-15-8-16(9-15)28-13-25-17-18(23-12-24-19(17)28)22-11-14-2-1-3-21-10-14/h1-3,10,12-13,15-16H,4-9,11H2,(H,26,29)(H,22,23,24)
InChIKeyFXHBYNDUYFLYIJ-UHFFFAOYSA-N
MW408.47 g/mol
LogP1.58
Rot. Bonds5

About N-[3-[6-(pyridin-3-ylmethylamino)purin-9-yl]cyclobutyl]morpholine-4-carboxamide

N-[3-[6-(pyridin-3-ylmethylamino)purin-9-yl]cyclobutyl]morpholine-4-carboxamide (PubChem CID 163568582) has the molecular formula C20H24N8O2 and a molecular weight of 408.47 g/mol. Its IUPAC name is N-[3-[6-(pyridin-3-ylmethylamino)purin-9-yl]cyclobutyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[6-(pyridin-3-ylmethylamino)purin-9-yl]cyclobutyl]morpholine-4-carboxamide
PubChem CID163568582
Molecular FormulaC20H24N8O2
Molecular Weight408.47 g/mol
Exact Mass408.20
IUPAC NameN-[3-[6-(pyridin-3-ylmethylamino)purin-9-yl]cyclobutyl]morpholine-4-carboxamide
SMILESO=C(NC1CC(n2cnc3c(NCc4cccnc4)ncnc32)C1)N1CCOCC1
InChIInChI=1S/C20H24N8O2/c29-20(27-4-6-30-7-5-27)26-15-8-16(9-15)28-13-25-17-18(23-12-24-19(17)28)22-11-14-2-1-3-21-10-14/h1-3,10,12-13,15-16H,4-9,11H2,(H,26,29)(H,22,23,24)
InChIKeyFXHBYNDUYFLYIJ-UHFFFAOYSA-N
XLogP1.58
TPSA110.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[3-[6-(pyridin-3-ylmethylamino)purin-9-yl]cyclobutyl]pyrrolidine-2-carboxamide;hydrochloride
CID 142746883
N-benzyl-9-(oxiran-2-yl)purin-6-amine
CID 174692063
N-[3-[6-[(4-methoxyphenyl)methylamino]purin-9-yl]cyclobutyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 142746881
6-N-(2-morpholin-4-ylethyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542884
3-[6-(benzylamino)purin-9-yl]-1-methylcyclobutan-1-ol
CID 155962940
[3-[6-(benzylamino)-2-(4-morpholin-4-ylanilino)purin-9-yl]cyclohexyl]carbamic acid
CID 118420836
N-(2-pyridin-3-ylethyl)morpholine-4-carboxamide
CID 110872249
6-morpholin-4-yl-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 23481245
3-morpholin-4-yl-3-oxo-N-(pyridin-3-ylmethyl)propanamide
CID 108943446
morpholin-4-yl-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone
CID 109228393
[(5R)-5-[6-(benzylamino)purin-9-yl]oxolan-2-yl]methanol
CID 142470459
9-cyclopropyl-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]purin-6-amine
CID 136544652

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(pyridin-3-ylmethylamino)purin-9-yl]cyclobutyl]morpholine-4-carboxamide?
The IUPAC name of N-[3-[6-(pyridin-3-ylmethylamino)purin-9-yl]cyclobutyl]morpholine-4-carboxamide (CID 163568582) is N-[3-[6-(pyridin-3-ylmethylamino)purin-9-yl]cyclobutyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[3-[6-(pyridin-3-ylmethylamino)purin-9-yl]cyclobutyl]morpholine-4-carboxamide?
The canonical SMILES for N-[3-[6-(pyridin-3-ylmethylamino)purin-9-yl]cyclobutyl]morpholine-4-carboxamide is O=C(NC1CC(n2cnc3c(NCc4cccnc4)ncnc32)C1)N1CCOCC1.
What is the InChIKey of N-[3-[6-(pyridin-3-ylmethylamino)purin-9-yl]cyclobutyl]morpholine-4-carboxamide?
The InChIKey is FXHBYNDUYFLYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O2/c29-20(27-4-6-30-7-5-27)26-15-8-16(9-15)28-13-25-17-18(23-12-24-19(17)28)22-11-14-2-1-3-21-10-14/h1-3,10,12-13,15-16H,4-9,11H2,(H,26,29)(H,22,23,24).
What are the key properties of N-[3-[6-(pyridin-3-ylmethylamino)purin-9-yl]cyclobutyl]morpholine-4-carboxamide?
N-[3-[6-(pyridin-3-ylmethylamino)purin-9-yl]cyclobutyl]morpholine-4-carboxamide has a molecular weight of 408.47 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(pyridin-3-ylmethylamino)purin-9-yl]cyclobutyl]morpholine-4-carboxamide is sourced from PubChem (CID 163568582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).