(3S,5R)-N-(cyclopropylmethyl)-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide

C18H26N4O2 — CID 98778269

IUPAC(3S,5R)-N-(cyclopropylmethyl)-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide
SMILESCc1cnc(N2CCC[C@]3(CO[C@H](C(=O)NCC4CC4)C3)C2)nc1
InChIInChI=1S/C18H26N4O2/c1-13-8-20-17(21-9-13)22-6-2-5-18(11-22)7-15(24-12-18)16(23)19-10-14-3-4-14/h8-9,14-15H,2-7,10-12H2,1H3,(H,19,23)/t15-,18+/m0/s1
InChIKeyVZUGATBUMITXQR-MAUKXSAKSA-N
MW330.43 g/mol
LogP1.69
Rot. Bonds4

About (3S,5R)-N-(cyclopropylmethyl)-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide

(3S,5R)-N-(cyclopropylmethyl)-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide (PubChem CID 98778269) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (3S,5R)-N-(cyclopropylmethyl)-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3S,5R)-N-(cyclopropylmethyl)-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide
PubChem CID98778269
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name(3S,5R)-N-(cyclopropylmethyl)-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide
SMILESCc1cnc(N2CCC[C@]3(CO[C@H](C(=O)NCC4CC4)C3)C2)nc1
InChIInChI=1S/C18H26N4O2/c1-13-8-20-17(21-9-13)22-6-2-5-18(11-22)7-15(24-12-18)16(23)19-10-14-3-4-14/h8-9,14-15H,2-7,10-12H2,1H3,(H,19,23)/t15-,18+/m0/s1
InChIKeyVZUGATBUMITXQR-MAUKXSAKSA-N
XLogP1.69
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-N-(cyclopropylmethyl)-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3S,5R)-N-(cyclopropylmethyl)-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide (CID 98778269) is (3S,5R)-N-(cyclopropylmethyl)-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3S,5R)-N-(cyclopropylmethyl)-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3S,5R)-N-(cyclopropylmethyl)-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide is Cc1cnc(N2CCC[C@]3(CO[C@H](C(=O)NCC4CC4)C3)C2)nc1.
What is the InChIKey of (3S,5R)-N-(cyclopropylmethyl)-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is VZUGATBUMITXQR-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-13-8-20-17(21-9-13)22-6-2-5-18(11-22)7-15(24-12-18)16(23)19-10-14-3-4-14/h8-9,14-15H,2-7,10-12H2,1H3,(H,19,23)/t15-,18+/m0/s1.
What are the key properties of (3S,5R)-N-(cyclopropylmethyl)-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide?
(3S,5R)-N-(cyclopropylmethyl)-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-N-(cyclopropylmethyl)-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 98778269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).