(3R)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

C16H21N7O2 — CID 95711572

IUPAC(3R)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESO=C(NCc1nc(-c2ncccn2)no1)[C@H]1CC2(CCNCC2)CN1
InChIInChI=1S/C16H21N7O2/c24-15(11-8-16(10-21-11)2-6-17-7-3-16)20-9-12-22-14(23-25-12)13-18-4-1-5-19-13/h1,4-5,11,17,21H,2-3,6-10H2,(H,20,24)/t11-/m1/s1
InChIKeyPIGQMWFFSNGLAA-LLVKDONJSA-N
MW343.39 g/mol
LogP-0.13
Rot. Bonds4

About (3R)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

(3R)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 95711572) has the molecular formula C16H21N7O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is (3R)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID95711572
Molecular FormulaC16H21N7O2
Molecular Weight343.39 g/mol
Exact Mass343.18
IUPAC Name(3R)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESO=C(NCc1nc(-c2ncccn2)no1)[C@H]1CC2(CCNCC2)CN1
InChIInChI=1S/C16H21N7O2/c24-15(11-8-16(10-21-11)2-6-17-7-3-16)20-9-12-22-14(23-25-12)13-18-4-1-5-19-13/h1,4-5,11,17,21H,2-3,6-10H2,(H,20,24)/t11-/m1/s1
InChIKeyPIGQMWFFSNGLAA-LLVKDONJSA-N
XLogP-0.13
TPSA117.86 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (3R)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide 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

(4S)-3-[2-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 90347630
2-[5-(4,4-Difluoropyrrolidin-2-YL)-1,2,4-oxadiazol-3-YL]pyrimidine
CID 110203262
N-{[3-(2-pyrimidinyl)-1,2,4-oxadiazol-5-yl]methyl}-2,8-diazaspiro[4.5]decane-3-carboxamide dihydrochloride
CID 56887749
(3R*,5S*)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(pyrrolidin-1-ylcarbonyl)piperidine-3-carboxamide
CID 72851370
(3S)-1-cyclopentyl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 97200426
1-[(4S)-4-fluoro-2-[5-(2-methylbutan-2-yl)-1,2,4-oxadiazole-3-carbonyl]pyrrolidin-1-yl]-2-[(4-methyl-1-pyrimidin-2-ylpiperidin-4-yl)amino]ethanone
CID 69815092
5-(4,4-Difluoropyrrolidin-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole
CID 171149996
3-[2-Oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 8007505
4-(1-piperidinyl)-N-{[3-(2-pyrimidinyl)-1,2,4-oxadiazol-5-yl]methyl}butanamide
CID 72842144
3-[4-(1-Pyrimidin-2-ylpiperazin-1-ium-1-yl)butyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 20195931
(4S)-3-[2-[[(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89479565
3-[2-[[(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89479566

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3R)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 95711572) is (3R)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3R)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3R)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is O=C(NCc1nc(-c2ncccn2)no1)[C@H]1CC2(CCNCC2)CN1.
What is the InChIKey of (3R)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is PIGQMWFFSNGLAA-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21N7O2/c24-15(11-8-16(10-21-11)2-6-17-7-3-16)20-9-12-22-14(23-25-12)13-18-4-1-5-19-13/h1,4-5,11,17,21H,2-3,6-10H2,(H,20,24)/t11-/m1/s1.
What are the key properties of (3R)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
(3R)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 343.39 g/mol, XLogP of -0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 95711572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).