N-butyl-N-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

C23H30N4O2 — CID 109077187

IUPACN-butyl-N-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESCCCCN(C)C(=O)c1nc(C(=O)N2c3ccccc3CC2C)n2c1CCCC2
InChIInChI=1S/C23H30N4O2/c1-4-5-13-25(3)22(28)20-19-12-8-9-14-26(19)21(24-20)23(29)27-16(2)15-17-10-6-7-11-18(17)27/h6-7,10-11,16H,4-5,8-9,12-15H2,1-3H3
InChIKeyFTTTYVNPHDRNJK-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.68
Rot. Bonds5

About N-butyl-N-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

N-butyl-N-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 109077187) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-butyl-N-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID109077187
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-butyl-N-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESCCCCN(C)C(=O)c1nc(C(=O)N2c3ccccc3CC2C)n2c1CCCC2
InChIInChI=1S/C23H30N4O2/c1-4-5-13-25(3)22(28)20-19-12-8-9-14-26(19)21(24-20)23(29)27-16(2)15-17-10-6-7-11-18(17)27/h6-7,10-11,16H,4-5,8-9,12-15H2,1-3H3
InChIKeyFTTTYVNPHDRNJK-UHFFFAOYSA-N
XLogP3.68
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-butyl-N-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (CID 109077187) is N-butyl-N-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-butyl-N-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is CCCCN(C)C(=O)c1nc(C(=O)N2c3ccccc3CC2C)n2c1CCCC2.
What is the InChIKey of N-butyl-N-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is FTTTYVNPHDRNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-4-5-13-25(3)22(28)20-19-12-8-9-14-26(19)21(24-20)23(29)27-16(2)15-17-10-6-7-11-18(17)27/h6-7,10-11,16H,4-5,8-9,12-15H2,1-3H3.
What are the key properties of N-butyl-N-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
N-butyl-N-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 109077187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).