3-[4-amino-2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide

C22H24N6O3 — CID 155631478

IUPAC3-[4-amino-2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2ccc3c(N)nc(N4CCCC5(C4)OCCO5)nc3n2)c1
InChIInChI=1S/C22H24N6O3/c1-24-20(29)15-5-2-4-14(12-15)17-7-6-16-18(23)26-21(27-19(16)25-17)28-9-3-8-22(13-28)30-10-11-31-22/h2,4-7,12H,3,8-11,13H2,1H3,(H,24,29)(H2,23,25,26,27)
InChIKeyHJWDCZOZRUGCDF-UHFFFAOYSA-N
MW420.47 g/mol
LogP1.98
Rot. Bonds3

About 3-[4-amino-2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide

3-[4-amino-2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide (PubChem CID 155631478) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is 3-[4-amino-2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[4-amino-2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide
PubChem CID155631478
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC Name3-[4-amino-2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2ccc3c(N)nc(N4CCCC5(C4)OCCO5)nc3n2)c1
InChIInChI=1S/C22H24N6O3/c1-24-20(29)15-5-2-4-14(12-15)17-7-6-16-18(23)26-21(27-19(16)25-17)28-9-3-8-22(13-28)30-10-11-31-22/h2,4-7,12H,3,8-11,13H2,1H3,(H,24,29)(H2,23,25,26,27)
InChIKeyHJWDCZOZRUGCDF-UHFFFAOYSA-N
XLogP1.98
TPSA115.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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-[(6S)-2-oxa-5-azabicyclo[4.1.0]heptan-5-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide
CID 155631438
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-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
3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide
CID 147794697
3-[4-amino-2-(6-oxa-9-azaspiro[3.6]decan-9-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide
CID 155631453
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
N-methyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-[(5R)-6-oxa-2-thia-9-azaspiro[4.5]decan-9-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide
CID 155131267
3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide
CID 25262792
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-(2,6-dimethylmorpholin-4-yl)-4-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide
CID 123508938

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide?
The IUPAC name of 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) is 3-[4-amino-2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide.
What is the SMILES notation for 3-[4-amino-2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide?
The canonical SMILES for 3-[4-amino-2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide is CNC(=O)c1cccc(-c2ccc3c(N)nc(N4CCCC5(C4)OCCO5)nc3n2)c1.
What is the InChIKey of 3-[4-amino-2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide?
The InChIKey is HJWDCZOZRUGCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-24-20(29)15-5-2-4-14(12-15)17-7-6-16-18(23)26-21(27-19(16)25-17)28-9-3-8-22(13-28)30-10-11-31-22/h2,4-7,12H,3,8-11,13H2,1H3,(H,24,29)(H2,23,25,26,27).
What are the key properties of 3-[4-amino-2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide?
3-[4-amino-2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide has a molecular weight of 420.47 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide is sourced from PubChem (CID 155631478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).