N-benzyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxamide;hydrate;hydrochloride

C22H26ClN3O2 — CID 67923514

IUPACN-benzyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxamide;hydrate;hydrochloride
SMILESCN1CC=C(c2c[nH]c3ccc(C(=O)NCc4ccccc4)cc23)CC1.Cl.O
InChIInChI=1S/C22H23N3O.ClH.H2O/c1-25-11-9-17(10-12-25)20-15-23-21-8-7-18(13-19(20)21)22(26)24-14-16-5-3-2-4-6-16;;/h2-9,13,15,23H,10-12,14H2,1H3,(H,24,26);1H;1H2
InChIKeyMWLMIMJFQXQAAZ-UHFFFAOYSA-N
MW399.92 g/mol
LogP3.41
Rot. Bonds4

About N-benzyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxamide;hydrate;hydrochloride

N-benzyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxamide;hydrate;hydrochloride (PubChem CID 67923514) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is N-benzyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxamide;hydrate;hydrochloride.

Molecular Properties

Compound NameN-benzyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxamide;hydrate;hydrochloride
PubChem CID67923514
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC NameN-benzyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxamide;hydrate;hydrochloride
SMILESCN1CC=C(c2c[nH]c3ccc(C(=O)NCc4ccccc4)cc23)CC1.Cl.O
InChIInChI=1S/C22H23N3O.ClH.H2O/c1-25-11-9-17(10-12-25)20-15-23-21-8-7-18(13-19(20)21)22(26)24-14-16-5-3-2-4-6-16;;/h2-9,13,15,23H,10-12,14H2,1H3,(H,24,26);1H;1H2
InChIKeyMWLMIMJFQXQAAZ-UHFFFAOYSA-N
XLogP3.41
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-benzyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxamide;hydrate;hydrochloride with MolForge

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Related Compounds

2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-(3-phenylphenyl)ethanone
CID 23003762
3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-phenoxy-1H-indole;oxalic acid
CID 44533059
but-2-enedioic acid;N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]propanamide
CID 70105932
5-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;ethane
CID 143668199
N-benzyl-3-[3-(dimethylamino)cyclobutyl]-1H-indole-5-carboxamide
CID 10617665
but-2-enedioic acid;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-pyridin-2-ylsulfanyl-1H-indole
CID 67712986
ethyl 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carboxylate
CID 66863463
N-benzyl-2-methyl-1H-indole-5-carboxamide
CID 110695037
N'-[[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methyl]thiophene-2-carboximidamide;hydrochloride
CID 57398365
4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-[(4-methylsulfanylphenyl)methyl]-4-oxobutanamide
CID 20916520
methyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate
CID 15951273
3-[4-[4-(5-carbamoyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole-5-carboxamide
CID 21469442

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxamide;hydrate;hydrochloride?
The IUPAC name of N-benzyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxamide;hydrate;hydrochloride (CID 67923514) is N-benzyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxamide;hydrate;hydrochloride.
What is the SMILES notation for N-benzyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxamide;hydrate;hydrochloride?
The canonical SMILES for N-benzyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxamide;hydrate;hydrochloride is CN1CC=C(c2c[nH]c3ccc(C(=O)NCc4ccccc4)cc23)CC1.Cl.O.
What is the InChIKey of N-benzyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxamide;hydrate;hydrochloride?
The InChIKey is MWLMIMJFQXQAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O.ClH.H2O/c1-25-11-9-17(10-12-25)20-15-23-21-8-7-18(13-19(20)21)22(26)24-14-16-5-3-2-4-6-16;;/h2-9,13,15,23H,10-12,14H2,1H3,(H,24,26);1H;1H2.
What are the key properties of N-benzyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxamide;hydrate;hydrochloride?
N-benzyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxamide;hydrate;hydrochloride has a molecular weight of 399.92 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxamide;hydrate;hydrochloride is sourced from PubChem (CID 67923514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).