N-(4-acetamido-7-methylcyclohepta-1,4,6-trien-1-yl)-4-methyl-6H-cyclohepta[b]pyridine-7-carboxamide

C22H23N3O2 — CID 139444807

IUPACN-(4-acetamido-7-methylcyclohepta-1,4,6-trien-1-yl)-4-methyl-6H-cyclohepta[b]pyridine-7-carboxamide
SMILESCC(=O)NC1=CC=C(C)C(NC(=O)C2=CC=c3nccc(C)c3=CC2)=CC1
InChIInChI=1S/C22H23N3O2/c1-14-12-13-23-21-10-6-17(5-9-19(14)21)22(27)25-20-11-8-18(24-16(3)26)7-4-15(20)2/h4,6-7,9-13H,5,8H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyAWIDMKZJQDABSX-UHFFFAOYSA-N
MW361.45 g/mol
LogP1.65
Rot. Bonds3

About N-(4-acetamido-7-methylcyclohepta-1,4,6-trien-1-yl)-4-methyl-6H-cyclohepta[b]pyridine-7-carboxamide

N-(4-acetamido-7-methylcyclohepta-1,4,6-trien-1-yl)-4-methyl-6H-cyclohepta[b]pyridine-7-carboxamide (PubChem CID 139444807) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(4-acetamido-7-methylcyclohepta-1,4,6-trien-1-yl)-4-methyl-6H-cyclohepta[b]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(4-acetamido-7-methylcyclohepta-1,4,6-trien-1-yl)-4-methyl-6H-cyclohepta[b]pyridine-7-carboxamide
PubChem CID139444807
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-(4-acetamido-7-methylcyclohepta-1,4,6-trien-1-yl)-4-methyl-6H-cyclohepta[b]pyridine-7-carboxamide
SMILESCC(=O)NC1=CC=C(C)C(NC(=O)C2=CC=c3nccc(C)c3=CC2)=CC1
InChIInChI=1S/C22H23N3O2/c1-14-12-13-23-21-10-6-17(5-9-19(14)21)22(27)25-20-11-8-18(24-16(3)26)7-4-15(20)2/h4,6-7,9-13H,5,8H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyAWIDMKZJQDABSX-UHFFFAOYSA-N
XLogP1.65
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-7-methylcyclohepta-1,4,6-trien-1-yl)-4-methyl-6H-cyclohepta[b]pyridine-7-carboxamide?
The IUPAC name of N-(4-acetamido-7-methylcyclohepta-1,4,6-trien-1-yl)-4-methyl-6H-cyclohepta[b]pyridine-7-carboxamide (CID 139444807) is N-(4-acetamido-7-methylcyclohepta-1,4,6-trien-1-yl)-4-methyl-6H-cyclohepta[b]pyridine-7-carboxamide.
What is the SMILES notation for N-(4-acetamido-7-methylcyclohepta-1,4,6-trien-1-yl)-4-methyl-6H-cyclohepta[b]pyridine-7-carboxamide?
The canonical SMILES for N-(4-acetamido-7-methylcyclohepta-1,4,6-trien-1-yl)-4-methyl-6H-cyclohepta[b]pyridine-7-carboxamide is CC(=O)NC1=CC=C(C)C(NC(=O)C2=CC=c3nccc(C)c3=CC2)=CC1.
What is the InChIKey of N-(4-acetamido-7-methylcyclohepta-1,4,6-trien-1-yl)-4-methyl-6H-cyclohepta[b]pyridine-7-carboxamide?
The InChIKey is AWIDMKZJQDABSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-14-12-13-23-21-10-6-17(5-9-19(14)21)22(27)25-20-11-8-18(24-16(3)26)7-4-15(20)2/h4,6-7,9-13H,5,8H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N-(4-acetamido-7-methylcyclohepta-1,4,6-trien-1-yl)-4-methyl-6H-cyclohepta[b]pyridine-7-carboxamide?
N-(4-acetamido-7-methylcyclohepta-1,4,6-trien-1-yl)-4-methyl-6H-cyclohepta[b]pyridine-7-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-7-methylcyclohepta-1,4,6-trien-1-yl)-4-methyl-6H-cyclohepta[b]pyridine-7-carboxamide is sourced from PubChem (CID 139444807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).