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6-[4-(cyclopropylcarbamoyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide

C25H25N3O5 — CID 117080606

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-[4-(cyclopropylcarbamoyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide
SMILESCOc1cc(NC(=O)c2cccc(-c3ccc(C(=O)NC4CC4)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C25H25N3O5/c1-31-21-13-18(14-22(32-2)23(21)33-3)27-25(30)20-6-4-5-19(28-20)15-7-9-16(10-8-15)24(29)26-17-11-12-17/h4-10,13-14,17H,11-12H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyPBOUWFBGRZUNHL-UHFFFAOYSA-N
MW447.49 g/mol
LogP3.92
Rot. Bonds8

About 6-[4-(cyclopropylcarbamoyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide

6-[4-(cyclopropylcarbamoyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide (PubChem CID 117080606) has the molecular formula C25H25N3O5 and a molecular weight of 447.49 g/mol. Its IUPAC name is 6-[4-(cyclopropylcarbamoyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-(cyclopropylcarbamoyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide
PubChem CID117080606
Molecular FormulaC25H25N3O5
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC Name6-[4-(cyclopropylcarbamoyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide
SMILESCOc1cc(NC(=O)c2cccc(-c3ccc(C(=O)NC4CC4)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C25H25N3O5/c1-31-21-13-18(14-22(32-2)23(21)33-3)27-25(30)20-6-4-5-19(28-20)15-7-9-16(10-8-15)24(29)26-17-11-12-17/h4-10,13-14,17H,11-12H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyPBOUWFBGRZUNHL-UHFFFAOYSA-N
XLogP3.92
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(cyclopropylcarbamoyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 6-[4-(cyclopropylcarbamoyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide (CID 117080606) is 6-[4-(cyclopropylcarbamoyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-(cyclopropylcarbamoyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-[4-(cyclopropylcarbamoyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide is COc1cc(NC(=O)c2cccc(-c3ccc(C(=O)NC4CC4)cc3)n2)cc(OC)c1OC.
What is the InChIKey of 6-[4-(cyclopropylcarbamoyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide?
The InChIKey is PBOUWFBGRZUNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5/c1-31-21-13-18(14-22(32-2)23(21)33-3)27-25(30)20-6-4-5-19(28-20)15-7-9-16(10-8-15)24(29)26-17-11-12-17/h4-10,13-14,17H,11-12H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of 6-[4-(cyclopropylcarbamoyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide?
6-[4-(cyclopropylcarbamoyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide has a molecular weight of 447.49 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(cyclopropylcarbamoyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 117080606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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