3-[4-amino-2-(6-oxa-9-azaspiro[3.6]decan-9-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide

C22H24N6O2 — CID 155631453

IUPAC3-[4-amino-2-(6-oxa-9-azaspiro[3.6]decan-9-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide
SMILESNC(=O)c1cccc(-c2ccc3c(N)nc(N4CCOCC5(CCC5)C4)nc3n2)c1
InChIInChI=1S/C22H24N6O2/c23-18-16-5-6-17(14-3-1-4-15(11-14)19(24)29)25-20(16)27-21(26-18)28-9-10-30-13-22(12-28)7-2-8-22/h1,3-6,11H,2,7-10,12-13H2,(H2,24,29)(H2,23,25,26,27)
InChIKeyPVHQDCYCOQVEBC-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.38
Rot. Bonds3

About 3-[4-amino-2-(6-oxa-9-azaspiro[3.6]decan-9-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide

3-[4-amino-2-(6-oxa-9-azaspiro[3.6]decan-9-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide (PubChem CID 155631453) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 3-[4-amino-2-(6-oxa-9-azaspiro[3.6]decan-9-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide.

Molecular Properties

Compound Name3-[4-amino-2-(6-oxa-9-azaspiro[3.6]decan-9-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide
PubChem CID155631453
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name3-[4-amino-2-(6-oxa-9-azaspiro[3.6]decan-9-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide
SMILESNC(=O)c1cccc(-c2ccc3c(N)nc(N4CCOCC5(CCC5)C4)nc3n2)c1
InChIInChI=1S/C22H24N6O2/c23-18-16-5-6-17(14-3-1-4-15(11-14)19(24)29)25-20(16)27-21(26-18)28-9-10-30-13-22(12-28)7-2-8-22/h1,3-6,11H,2,7-10,12-13H2,(H2,24,29)(H2,23,25,26,27)
InChIKeyPVHQDCYCOQVEBC-UHFFFAOYSA-N
XLogP2.38
TPSA120.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-amino-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide
CID 155631510
3-[4-amino-2-(2-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide
CID 155631497
3-[4-amino-2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide
CID 155631478
3-[4-amino-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;1-ethoxypropane
CID 160939112
3-[4-amino-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-hydroxybenzamide;1-ethoxypropane
CID 157466769
2-(4-oxa-7-azaspiro[2.5]octan-7-yl)-7-[3-(1H-pyrazol-5-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine
CID 155631501
3-[2-[(5S)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide
CID 155239057
7-(2-aminoquinazolin-7-yl)-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-4-amine
CID 155631479
methyl 3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]benzoate
CID 155239068
3-[4-amino-2-[(6S)-2-oxa-5-azabicyclo[4.1.0]heptan-5-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide
CID 155631438
N'-methanimidoyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]benzenecarboximidamide
CID 155131220
3-[2-[2-(hydroxymethyl)piperidin-1-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide
CID 57441929

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-2-(6-oxa-9-azaspiro[3.6]decan-9-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide?
The IUPAC name of 3-[4-amino-2-(6-oxa-9-azaspiro[3.6]decan-9-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide (CID 155631453) is 3-[4-amino-2-(6-oxa-9-azaspiro[3.6]decan-9-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide.
What is the SMILES notation for 3-[4-amino-2-(6-oxa-9-azaspiro[3.6]decan-9-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide?
The canonical SMILES for 3-[4-amino-2-(6-oxa-9-azaspiro[3.6]decan-9-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide is NC(=O)c1cccc(-c2ccc3c(N)nc(N4CCOCC5(CCC5)C4)nc3n2)c1.
What is the InChIKey of 3-[4-amino-2-(6-oxa-9-azaspiro[3.6]decan-9-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide?
The InChIKey is PVHQDCYCOQVEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c23-18-16-5-6-17(14-3-1-4-15(11-14)19(24)29)25-20(16)27-21(26-18)28-9-10-30-13-22(12-28)7-2-8-22/h1,3-6,11H,2,7-10,12-13H2,(H2,24,29)(H2,23,25,26,27).
What are the key properties of 3-[4-amino-2-(6-oxa-9-azaspiro[3.6]decan-9-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide?
3-[4-amino-2-(6-oxa-9-azaspiro[3.6]decan-9-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide has a molecular weight of 404.47 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-2-(6-oxa-9-azaspiro[3.6]decan-9-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide is sourced from PubChem (CID 155631453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).