6-(2,2-dimethylpropanoylamino)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide

C22H26N4O3 — CID 146092029

IUPAC6-(2,2-dimethylpropanoylamino)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)c3ccc(NC(=O)C(C)(C)C)nc3)c2c1
InChIInChI=1S/C22H26N4O3/c1-22(2,3)21(28)26-19-8-5-15(13-25-19)20(27)23-10-9-14-12-24-18-7-6-16(29-4)11-17(14)18/h5-8,11-13,24H,9-10H2,1-4H3,(H,23,27)(H,25,26,28)
InChIKeyWWQUHDMTNXDAPW-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.53
Rot. Bonds6

About 6-(2,2-dimethylpropanoylamino)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide

6-(2,2-dimethylpropanoylamino)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide (PubChem CID 146092029) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 6-(2,2-dimethylpropanoylamino)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2,2-dimethylpropanoylamino)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
PubChem CID146092029
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name6-(2,2-dimethylpropanoylamino)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)c3ccc(NC(=O)C(C)(C)C)nc3)c2c1
InChIInChI=1S/C22H26N4O3/c1-22(2,3)21(28)26-19-8-5-15(13-25-19)20(27)23-10-9-14-12-24-18-7-6-16(29-4)11-17(14)18/h5-8,11-13,24H,9-10H2,1-4H3,(H,23,27)(H,25,26,28)
InChIKeyWWQUHDMTNXDAPW-UHFFFAOYSA-N
XLogP3.53
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-(2,2-dimethylpropanoylamino)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide with MolForge

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Related Compounds

3,4-dimethoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
CID 2988177
[4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
CID 2987344
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-[(3-methoxy-N-methylanilino)methyl]benzamide
CID 129111079
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 75491978
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methyl-1,2,4-oxadiazole-5-carboxamide
CID 29147475
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 71755173
4-[(3-chloro-N-methylanilino)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
CID 129111066
2,4-dimethoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide
CID 17271778
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-nitrobenzamide
CID 17271715
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 3750569
1-benzyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
CID 18947306

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylpropanoylamino)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-(2,2-dimethylpropanoylamino)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide (CID 146092029) is 6-(2,2-dimethylpropanoylamino)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2,2-dimethylpropanoylamino)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(2,2-dimethylpropanoylamino)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide is COc1ccc2[nH]cc(CCNC(=O)c3ccc(NC(=O)C(C)(C)C)nc3)c2c1.
What is the InChIKey of 6-(2,2-dimethylpropanoylamino)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is WWQUHDMTNXDAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-22(2,3)21(28)26-19-8-5-15(13-25-19)20(27)23-10-9-14-12-24-18-7-6-16(29-4)11-17(14)18/h5-8,11-13,24H,9-10H2,1-4H3,(H,23,27)(H,25,26,28).
What are the key properties of 6-(2,2-dimethylpropanoylamino)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide?
6-(2,2-dimethylpropanoylamino)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 3.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylpropanoylamino)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 146092029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).