N-butyl-6-(5-cyano-2-hydroxy-1H-indol-3-yl)-N-methylpyridine-3-carboxamide;hydrochloride

C20H21ClN4O2 — CID 174467921

IUPACN-butyl-6-(5-cyano-2-hydroxy-1H-indol-3-yl)-N-methylpyridine-3-carboxamide;hydrochloride
SMILESCCCCN(C)C(=O)c1ccc(-c2c(O)[nH]c3ccc(C#N)cc23)nc1.Cl
InChIInChI=1S/C20H20N4O2.ClH/c1-3-4-9-24(2)20(26)14-6-8-17(22-12-14)18-15-10-13(11-21)5-7-16(15)23-19(18)25;/h5-8,10,12,23,25H,3-4,9H2,1-2H3;1H
InChIKeyKSFDYEWOGKJNLP-UHFFFAOYSA-N
MW384.87 g/mol
LogP4.10
Rot. Bonds5

About N-butyl-6-(5-cyano-2-hydroxy-1H-indol-3-yl)-N-methylpyridine-3-carboxamide;hydrochloride

N-butyl-6-(5-cyano-2-hydroxy-1H-indol-3-yl)-N-methylpyridine-3-carboxamide;hydrochloride (PubChem CID 174467921) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is N-butyl-6-(5-cyano-2-hydroxy-1H-indol-3-yl)-N-methylpyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-butyl-6-(5-cyano-2-hydroxy-1H-indol-3-yl)-N-methylpyridine-3-carboxamide;hydrochloride
PubChem CID174467921
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC NameN-butyl-6-(5-cyano-2-hydroxy-1H-indol-3-yl)-N-methylpyridine-3-carboxamide;hydrochloride
SMILESCCCCN(C)C(=O)c1ccc(-c2c(O)[nH]c3ccc(C#N)cc23)nc1.Cl
InChIInChI=1S/C20H20N4O2.ClH/c1-3-4-9-24(2)20(26)14-6-8-17(22-12-14)18-15-10-13(11-21)5-7-16(15)23-19(18)25;/h5-8,10,12,23,25H,3-4,9H2,1-2H3;1H
InChIKeyKSFDYEWOGKJNLP-UHFFFAOYSA-N
XLogP4.10
TPSA93.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

but-2-enedioic acid;6-(5-cyano-2-hydroxy-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 173121140
N-butyl-N-methyl-6-pyridin-2-ylpyridine-3-carboxamide
CID 110681859
2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carbonitrile
CID 135442674
5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414824
2-hydroxy-3-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-indole-5-carbonitrile
CID 135513097
N-butyl-2-[(4-fluorophenyl)methylamino]-N-methylpyrimidine-5-carboxamide
CID 109257290
N-butyl-4-[(4-cyanophenyl)sulfamoyl]-N-methylbenzamide
CID 109061458
3-N-butyl-1-N-(4-cyanophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109056438
N-butyl-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide
CID 32906535
N-butyl-N-methyl-1H-indole-5-carboxamide
CID 63717689
N-butyl-5-(4-cyanoanilino)-N-methylpyrazine-2-carboxamide
CID 109288338
N-butyl-2-(dipropylamino)-N-methylpyrimidine-5-carboxamide
CID 109263866

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(5-cyano-2-hydroxy-1H-indol-3-yl)-N-methylpyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-butyl-6-(5-cyano-2-hydroxy-1H-indol-3-yl)-N-methylpyridine-3-carboxamide;hydrochloride (CID 174467921) is N-butyl-6-(5-cyano-2-hydroxy-1H-indol-3-yl)-N-methylpyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-butyl-6-(5-cyano-2-hydroxy-1H-indol-3-yl)-N-methylpyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-butyl-6-(5-cyano-2-hydroxy-1H-indol-3-yl)-N-methylpyridine-3-carboxamide;hydrochloride is CCCCN(C)C(=O)c1ccc(-c2c(O)[nH]c3ccc(C#N)cc23)nc1.Cl.
What is the InChIKey of N-butyl-6-(5-cyano-2-hydroxy-1H-indol-3-yl)-N-methylpyridine-3-carboxamide;hydrochloride?
The InChIKey is KSFDYEWOGKJNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2.ClH/c1-3-4-9-24(2)20(26)14-6-8-17(22-12-14)18-15-10-13(11-21)5-7-16(15)23-19(18)25;/h5-8,10,12,23,25H,3-4,9H2,1-2H3;1H.
What are the key properties of N-butyl-6-(5-cyano-2-hydroxy-1H-indol-3-yl)-N-methylpyridine-3-carboxamide;hydrochloride?
N-butyl-6-(5-cyano-2-hydroxy-1H-indol-3-yl)-N-methylpyridine-3-carboxamide;hydrochloride has a molecular weight of 384.87 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-(5-cyano-2-hydroxy-1H-indol-3-yl)-N-methylpyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 174467921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).