carbon dioxide;N-(2,6-dimethylphenyl)-5-[4-[(ethenylamino)methyl]phenyl]pyridine-3-carboxamide

C24H23N3O3 — CID 143475247

IUPACcarbon dioxide;N-(2,6-dimethylphenyl)-5-[4-[(ethenylamino)methyl]phenyl]pyridine-3-carboxamide
SMILESC=CNCc1ccc(-c2cncc(C(=O)Nc3c(C)cccc3C)c2)cc1.O=C=O
InChIInChI=1S/C23H23N3O.CO2/c1-4-24-13-18-8-10-19(11-9-18)20-12-21(15-25-14-20)23(27)26-22-16(2)6-5-7-17(22)3;2-1-3/h4-12,14-15,24H,1,13H2,2-3H3,(H,26,27);
InChIKeyQTTVFUAJEZFEPT-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.27
Rot. Bonds6

About carbon dioxide;N-(2,6-dimethylphenyl)-5-[4-[(ethenylamino)methyl]phenyl]pyridine-3-carboxamide

carbon dioxide;N-(2,6-dimethylphenyl)-5-[4-[(ethenylamino)methyl]phenyl]pyridine-3-carboxamide (PubChem CID 143475247) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is carbon dioxide;N-(2,6-dimethylphenyl)-5-[4-[(ethenylamino)methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Namecarbon dioxide;N-(2,6-dimethylphenyl)-5-[4-[(ethenylamino)methyl]phenyl]pyridine-3-carboxamide
PubChem CID143475247
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Namecarbon dioxide;N-(2,6-dimethylphenyl)-5-[4-[(ethenylamino)methyl]phenyl]pyridine-3-carboxamide
SMILESC=CNCc1ccc(-c2cncc(C(=O)Nc3c(C)cccc3C)c2)cc1.O=C=O
InChIInChI=1S/C23H23N3O.CO2/c1-4-24-13-18-8-10-19(11-9-18)20-12-21(15-25-14-20)23(27)26-22-16(2)6-5-7-17(22)3;2-1-3/h4-12,14-15,24H,1,13H2,2-3H3,(H,26,27);
InChIKeyQTTVFUAJEZFEPT-UHFFFAOYSA-N
XLogP4.27
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;N-(2,6-dimethylphenyl)-5-[4-[(ethenylamino)methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of carbon dioxide;N-(2,6-dimethylphenyl)-5-[4-[(ethenylamino)methyl]phenyl]pyridine-3-carboxamide (CID 143475247) is carbon dioxide;N-(2,6-dimethylphenyl)-5-[4-[(ethenylamino)methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for carbon dioxide;N-(2,6-dimethylphenyl)-5-[4-[(ethenylamino)methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for carbon dioxide;N-(2,6-dimethylphenyl)-5-[4-[(ethenylamino)methyl]phenyl]pyridine-3-carboxamide is C=CNCc1ccc(-c2cncc(C(=O)Nc3c(C)cccc3C)c2)cc1.O=C=O.
What is the InChIKey of carbon dioxide;N-(2,6-dimethylphenyl)-5-[4-[(ethenylamino)methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is QTTVFUAJEZFEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O.CO2/c1-4-24-13-18-8-10-19(11-9-18)20-12-21(15-25-14-20)23(27)26-22-16(2)6-5-7-17(22)3;2-1-3/h4-12,14-15,24H,1,13H2,2-3H3,(H,26,27);.
What are the key properties of carbon dioxide;N-(2,6-dimethylphenyl)-5-[4-[(ethenylamino)methyl]phenyl]pyridine-3-carboxamide?
carbon dioxide;N-(2,6-dimethylphenyl)-5-[4-[(ethenylamino)methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;N-(2,6-dimethylphenyl)-5-[4-[(ethenylamino)methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 143475247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).