N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(oxolan-3-yl)indole-5-carboxamide

C19H17Cl2N3O2 — CID 71200949

IUPACN-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(oxolan-3-yl)indole-5-carboxamide
SMILESCc1cn(C2CCOC2)c2ccc(C(=O)Nc3c(Cl)cncc3Cl)cc12
InChIInChI=1S/C19H17Cl2N3O2/c1-11-9-24(13-4-5-26-10-13)17-3-2-12(6-14(11)17)19(25)23-18-15(20)7-22-8-16(18)21/h2-3,6-9,13H,4-5,10H2,1H3,(H,22,23,25)
InChIKeyVOZXKFFBRZWGCX-UHFFFAOYSA-N
MW390.27 g/mol
LogP4.87
Rot. Bonds3

About N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(oxolan-3-yl)indole-5-carboxamide

N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(oxolan-3-yl)indole-5-carboxamide (PubChem CID 71200949) has the molecular formula C19H17Cl2N3O2 and a molecular weight of 390.27 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(oxolan-3-yl)indole-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(oxolan-3-yl)indole-5-carboxamide
PubChem CID71200949
Molecular FormulaC19H17Cl2N3O2
Molecular Weight390.27 g/mol
Exact Mass389.07
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(oxolan-3-yl)indole-5-carboxamide
SMILESCc1cn(C2CCOC2)c2ccc(C(=O)Nc3c(Cl)cncc3Cl)cc12
InChIInChI=1S/C19H17Cl2N3O2/c1-11-9-24(13-4-5-26-10-13)17-3-2-12(6-14(11)17)19(25)23-18-15(20)7-22-8-16(18)21/h2-3,6-9,13H,4-5,10H2,1H3,(H,22,23,25)
InChIKeyVOZXKFFBRZWGCX-UHFFFAOYSA-N
XLogP4.87
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyclohexylethyl)-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide
CID 10094201
1-(3-cyclohexylpropyl)-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide
CID 22663341
N-(3-chloro-4-pyridinyl)-2-(1-propoxyindol-3-yl)acetamide
CID 141490253
HIV-1 inhibitor-30
CID 141490343
N-(3-chloro-4-pyridyl)-2-(1-pentoxyindol-3-yl)acetamide
CID 141490357
N-(3-chloro-4-pyridyl)-2-(1-methoxyindol-3-yl)acetamide
CID 141490365
1-[(4-carbamoylphenyl)methyl]-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide
CID 44298227
N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(2-phenylethyl)indole-6-carboxamide
CID 44298485
N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(naphthalen-2-ylmethyl)indole-6-carboxamide
CID 10456942
1-(cyclohexylmethyl)-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide
CID 12088732
N-(3,5-dichloro-4-pyridinyl)-1-heptyl-3-methylindole-6-carboxamide
CID 12088733
1-benzyl-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide
CID 12088734

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(oxolan-3-yl)indole-5-carboxamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(oxolan-3-yl)indole-5-carboxamide (CID 71200949) is N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(oxolan-3-yl)indole-5-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(oxolan-3-yl)indole-5-carboxamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(oxolan-3-yl)indole-5-carboxamide is Cc1cn(C2CCOC2)c2ccc(C(=O)Nc3c(Cl)cncc3Cl)cc12.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(oxolan-3-yl)indole-5-carboxamide?
The InChIKey is VOZXKFFBRZWGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2/c1-11-9-24(13-4-5-26-10-13)17-3-2-12(6-14(11)17)19(25)23-18-15(20)7-22-8-16(18)21/h2-3,6-9,13H,4-5,10H2,1H3,(H,22,23,25).
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(oxolan-3-yl)indole-5-carboxamide?
N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(oxolan-3-yl)indole-5-carboxamide has a molecular weight of 390.27 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(oxolan-3-yl)indole-5-carboxamide is sourced from PubChem (CID 71200949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).