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

C22H28N4O2 — CID 109073575

IUPACN-butyl-1-(2-methyl-2,3-dihydroindole-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
SMILESCCCCNC(=O)c1nc(C(=O)N2c3ccccc3CC2C)c2n1CCCC2
InChIInChI=1S/C22H28N4O2/c1-3-4-12-23-21(27)20-24-19(18-11-7-8-13-25(18)20)22(28)26-15(2)14-16-9-5-6-10-17(16)26/h5-6,9-10,15H,3-4,7-8,11-14H2,1-2H3,(H,23,27)
InChIKeyMTMKJBJQRIRJLT-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.34
Rot. Bonds5

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

N-butyl-1-(2-methyl-2,3-dihydroindole-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 109073575) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-butyl-1-(2-methyl-2,3-dihydroindole-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(2-methyl-2,3-dihydroindole-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
PubChem CID109073575
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-butyl-1-(2-methyl-2,3-dihydroindole-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
SMILESCCCCNC(=O)c1nc(C(=O)N2c3ccccc3CC2C)c2n1CCCC2
InChIInChI=1S/C22H28N4O2/c1-3-4-12-23-21(27)20-24-19(18-11-7-8-13-25(18)20)22(28)26-15(2)14-16-9-5-6-10-17(16)26/h5-6,9-10,15H,3-4,7-8,11-14H2,1-2H3,(H,23,27)
InChIKeyMTMKJBJQRIRJLT-UHFFFAOYSA-N
XLogP3.34
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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
[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-morpholin-4-ylmethanone
CID 109075403
3-N-butyl-1-N-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073463
1-N-butyl-3-N-(2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073420
1-N-benzyl-3-N-butyl-1-N-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073493
3-N-butyl-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073513
3-N-butyl-1-N,1-N-dipropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073518
1-N-butyl-3-N-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073379
3-N-pentyl-1-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076411
1-(4-phenylpiperazine-1-carbonyl)-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 109072302
3-N-(2-fluorophenyl)-1-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077070
1-N-butyl-3-N-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073424

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(2-methyl-2,3-dihydroindole-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-butyl-1-(2-methyl-2,3-dihydroindole-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide (CID 109073575) is N-butyl-1-(2-methyl-2,3-dihydroindole-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-butyl-1-(2-methyl-2,3-dihydroindole-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-butyl-1-(2-methyl-2,3-dihydroindole-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide is CCCCNC(=O)c1nc(C(=O)N2c3ccccc3CC2C)c2n1CCCC2.
What is the InChIKey of N-butyl-1-(2-methyl-2,3-dihydroindole-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is MTMKJBJQRIRJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-3-4-12-23-21(27)20-24-19(18-11-7-8-13-25(18)20)22(28)26-15(2)14-16-9-5-6-10-17(16)26/h5-6,9-10,15H,3-4,7-8,11-14H2,1-2H3,(H,23,27).
What are the key properties of N-butyl-1-(2-methyl-2,3-dihydroindole-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide?
N-butyl-1-(2-methyl-2,3-dihydroindole-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(2-methyl-2,3-dihydroindole-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 109073575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).