3-[2-tert-butyl-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide

C24H29N5O2 — CID 71250872

IUPAC3-[2-tert-butyl-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(C(C)(C)C)nc3n2)c1
InChIInChI=1S/C24H29N5O2/c1-15-14-31-12-11-29(15)21-18-9-10-19(16-7-6-8-17(13-16)22(30)25-5)26-20(18)27-23(28-21)24(2,3)4/h6-10,13,15H,11-12,14H2,1-5H3,(H,25,30)/t15-/m0/s1
InChIKeyVUWOZURKZJVAEV-HNNXBMFYSA-N
MW419.53 g/mol
LogP3.57
Rot. Bonds3

About 3-[2-tert-butyl-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide

3-[2-tert-butyl-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide (PubChem CID 71250872) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 3-[2-tert-butyl-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[2-tert-butyl-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide
PubChem CID71250872
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name3-[2-tert-butyl-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(C(C)(C)C)nc3n2)c1
InChIInChI=1S/C24H29N5O2/c1-15-14-31-12-11-29(15)21-18-9-10-19(16-7-6-8-17(13-16)22(30)25-5)26-20(18)27-23(28-21)24(2,3)4/h6-10,13,15H,11-12,14H2,1-5H3,(H,25,30)/t15-/m0/s1
InChIKeyVUWOZURKZJVAEV-HNNXBMFYSA-N
XLogP3.57
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-tert-butyl-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide?
The IUPAC name of 3-[2-tert-butyl-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide (CID 71250872) is 3-[2-tert-butyl-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide.
What is the SMILES notation for 3-[2-tert-butyl-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide?
The canonical SMILES for 3-[2-tert-butyl-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide is CNC(=O)c1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(C(C)(C)C)nc3n2)c1.
What is the InChIKey of 3-[2-tert-butyl-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide?
The InChIKey is VUWOZURKZJVAEV-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-15-14-31-12-11-29(15)21-18-9-10-19(16-7-6-8-17(13-16)22(30)25-5)26-20(18)27-23(28-21)24(2,3)4/h6-10,13,15H,11-12,14H2,1-5H3,(H,25,30)/t15-/m0/s1.
What are the key properties of 3-[2-tert-butyl-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide?
3-[2-tert-butyl-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide has a molecular weight of 419.53 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-tert-butyl-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide is sourced from PubChem (CID 71250872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).