N-[(5R,9S)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide

C18H21N5O2 — CID 97475846

IUPACN-[(5R,9S)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide
SMILESO=C(N[C@H]1CCO[C@]2(CCN(c3ncccn3)C2)C1)c1ccncc1
InChIInChI=1S/C18H21N5O2/c24-16(14-2-8-19-9-3-14)22-15-4-11-25-18(12-15)5-10-23(13-18)17-20-6-1-7-21-17/h1-3,6-9,15H,4-5,10-13H2,(H,22,24)/t15-,18+/m0/s1
InChIKeyZXAVNBZMVDSTRH-MAUKXSAKSA-N
MW339.40 g/mol
LogP1.43
Rot. Bonds3

About N-[(5R,9S)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide

N-[(5R,9S)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide (PubChem CID 97475846) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[(5R,9S)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(5R,9S)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide
PubChem CID97475846
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-[(5R,9S)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide
SMILESO=C(N[C@H]1CCO[C@]2(CCN(c3ncccn3)C2)C1)c1ccncc1
InChIInChI=1S/C18H21N5O2/c24-16(14-2-8-19-9-3-14)22-15-4-11-25-18(12-15)5-10-23(13-18)17-20-6-1-7-21-17/h1-3,6-9,15H,4-5,10-13H2,(H,22,24)/t15-,18+/m0/s1
InChIKeyZXAVNBZMVDSTRH-MAUKXSAKSA-N
XLogP1.43
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5R,9R)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide
CID 97474442
N-[(5R,9S)-2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide
CID 97477674
N-[(5S,9R)-2-methylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide
CID 124782327
N-[(5S,9S)-2-methylsulfonyl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide
CID 124782328
(5R,9R)-N-pyridin-2-yl-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
CID 97475455
N-[(5S,9S)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]benzamide
CID 124780353
N-[(5R,9R)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide
CID 97476036
N-[(5S,9S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide
CID 124780444
N-[(5R,9R)-2-(thiophen-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide
CID 97477682
1-methyl-N-[(5S,9S)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazole-4-carboxamide
CID 124815429
N-[(5R,9R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155848575
1-methyl-N-[(5S,9S)-2-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazole-4-carboxamide
CID 124820308

Frequently Asked Questions

What is the IUPAC name of N-[(5R,9S)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(5R,9S)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide (CID 97475846) is N-[(5R,9S)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(5R,9S)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(5R,9S)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide is O=C(N[C@H]1CCO[C@]2(CCN(c3ncccn3)C2)C1)c1ccncc1.
What is the InChIKey of N-[(5R,9S)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide?
The InChIKey is ZXAVNBZMVDSTRH-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H21N5O2/c24-16(14-2-8-19-9-3-14)22-15-4-11-25-18(12-15)5-10-23(13-18)17-20-6-1-7-21-17/h1-3,6-9,15H,4-5,10-13H2,(H,22,24)/t15-,18+/m0/s1.
What are the key properties of N-[(5R,9S)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide?
N-[(5R,9S)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R,9S)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide is sourced from PubChem (CID 97475846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).