N-[3-[2-(dimethylamino)ethylcarbamoyl]-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide

C26H27N5O5 — CID 44591924

IUPACN-[3-[2-(dimethylamino)ethylcarbamoyl]-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C(=O)NCCN(C)C)cc(-c3nc4ncccc4o3)c2)cc1OC
InChIInChI=1S/C26H27N5O5/c1-31(2)11-10-28-24(32)17-12-18(26-30-23-21(36-26)6-5-9-27-23)14-19(13-17)29-25(33)16-7-8-20(34-3)22(15-16)35-4/h5-9,12-15H,10-11H2,1-4H3,(H,28,32)(H,29,33)
InChIKeyMIANZHADOMMWTI-UHFFFAOYSA-N
MW489.53 g/mol
LogP3.45
Rot. Bonds9

About N-[3-[2-(dimethylamino)ethylcarbamoyl]-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide

N-[3-[2-(dimethylamino)ethylcarbamoyl]-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide (PubChem CID 44591924) has the molecular formula C26H27N5O5 and a molecular weight of 489.53 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)ethylcarbamoyl]-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)ethylcarbamoyl]-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide
PubChem CID44591924
Molecular FormulaC26H27N5O5
Molecular Weight489.53 g/mol
Exact Mass489.20
IUPAC NameN-[3-[2-(dimethylamino)ethylcarbamoyl]-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C(=O)NCCN(C)C)cc(-c3nc4ncccc4o3)c2)cc1OC
InChIInChI=1S/C26H27N5O5/c1-31(2)11-10-28-24(32)17-12-18(26-30-23-21(36-26)6-5-9-27-23)14-19(13-17)29-25(33)16-7-8-20(34-3)22(15-16)35-4/h5-9,12-15H,10-11H2,1-4H3,(H,28,32)(H,29,33)
InChIKeyMIANZHADOMMWTI-UHFFFAOYSA-N
XLogP3.45
TPSA118.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)ethylcarbamoyl]-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[3-[2-(dimethylamino)ethylcarbamoyl]-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide (CID 44591924) is N-[3-[2-(dimethylamino)ethylcarbamoyl]-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)ethylcarbamoyl]-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[3-[2-(dimethylamino)ethylcarbamoyl]-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2cc(C(=O)NCCN(C)C)cc(-c3nc4ncccc4o3)c2)cc1OC.
What is the InChIKey of N-[3-[2-(dimethylamino)ethylcarbamoyl]-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide?
The InChIKey is MIANZHADOMMWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O5/c1-31(2)11-10-28-24(32)17-12-18(26-30-23-21(36-26)6-5-9-27-23)14-19(13-17)29-25(33)16-7-8-20(34-3)22(15-16)35-4/h5-9,12-15H,10-11H2,1-4H3,(H,28,32)(H,29,33).
What are the key properties of N-[3-[2-(dimethylamino)ethylcarbamoyl]-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide?
N-[3-[2-(dimethylamino)ethylcarbamoyl]-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide has a molecular weight of 489.53 g/mol, XLogP of 3.45, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)ethylcarbamoyl]-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 44591924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).