N-benzyl-N-(pyridin-4-ylmethyl)-1H-indole-5-carboxamide

C22H19N3O — CID 42778117

IUPACN-benzyl-N-(pyridin-4-ylmethyl)-1H-indole-5-carboxamide
SMILESO=C(c1ccc2[nH]ccc2c1)N(Cc1ccccc1)Cc1ccncc1
InChIInChI=1S/C22H19N3O/c26-22(20-6-7-21-19(14-20)10-13-24-21)25(15-17-4-2-1-3-5-17)16-18-8-11-23-12-9-18/h1-14,24H,15-16H2
InChIKeyHJGHODVQABZOBF-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.41
Rot. Bonds5

About N-benzyl-N-(pyridin-4-ylmethyl)-1H-indole-5-carboxamide

N-benzyl-N-(pyridin-4-ylmethyl)-1H-indole-5-carboxamide (PubChem CID 42778117) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is N-benzyl-N-(pyridin-4-ylmethyl)-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(pyridin-4-ylmethyl)-1H-indole-5-carboxamide
PubChem CID42778117
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC NameN-benzyl-N-(pyridin-4-ylmethyl)-1H-indole-5-carboxamide
SMILESO=C(c1ccc2[nH]ccc2c1)N(Cc1ccccc1)Cc1ccncc1
InChIInChI=1S/C22H19N3O/c26-22(20-6-7-21-19(14-20)10-13-24-21)25(15-17-4-2-1-3-5-17)16-18-8-11-23-12-9-18/h1-14,24H,15-16H2
InChIKeyHJGHODVQABZOBF-UHFFFAOYSA-N
XLogP4.41
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-pyridin-4-ylethyl)-1H-indole-6-carboxamide
CID 63769836
N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1H-indole-5-carboxamide
CID 154860077
methyl 1H-indole-5-carboxylate;pyridine
CID 175088239
4-(dibenzylcarbamoyl)benzoic acid
CID 67563328
N-ethyl-N-(3-hydroxypropyl)-1H-indole-5-carboxamide
CID 115771732
1H-indol-5-yl-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]methanone
CID 71828821
1-benzyl-1-(furan-2-ylmethyl)-3-[2-(1H-indol-5-yl)ethyl]urea
CID 154841114
2-[(2-ethyl-1,3-thiazol-5-yl)methyl-(1H-indole-5-carbonyl)amino]acetic acid
CID 75499808
N-(pyridin-2-ylmethyl)-1H-indole-5-carboxamide
CID 63716738
3-(1H-indol-5-yl)-3-oxopropanoic acid
CID 170886874
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-5-carboxamide
CID 63718786

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(pyridin-4-ylmethyl)-1H-indole-5-carboxamide?
The IUPAC name of N-benzyl-N-(pyridin-4-ylmethyl)-1H-indole-5-carboxamide (CID 42778117) is N-benzyl-N-(pyridin-4-ylmethyl)-1H-indole-5-carboxamide.
What is the SMILES notation for N-benzyl-N-(pyridin-4-ylmethyl)-1H-indole-5-carboxamide?
The canonical SMILES for N-benzyl-N-(pyridin-4-ylmethyl)-1H-indole-5-carboxamide is O=C(c1ccc2[nH]ccc2c1)N(Cc1ccccc1)Cc1ccncc1.
What is the InChIKey of N-benzyl-N-(pyridin-4-ylmethyl)-1H-indole-5-carboxamide?
The InChIKey is HJGHODVQABZOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c26-22(20-6-7-21-19(14-20)10-13-24-21)25(15-17-4-2-1-3-5-17)16-18-8-11-23-12-9-18/h1-14,24H,15-16H2.
What are the key properties of N-benzyl-N-(pyridin-4-ylmethyl)-1H-indole-5-carboxamide?
N-benzyl-N-(pyridin-4-ylmethyl)-1H-indole-5-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(pyridin-4-ylmethyl)-1H-indole-5-carboxamide is sourced from PubChem (CID 42778117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).