1-cyclohexylindole-5-carboxylic acid;pyridine-3-carboxamide

C21H23N3O3 — CID 157341268

IUPAC1-cyclohexylindole-5-carboxylic acid;pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1.O=C(O)c1ccc2c(ccn2C2CCCCC2)c1
InChIInChI=1S/C15H17NO2.C6H6N2O/c17-15(18)12-6-7-14-11(10-12)8-9-16(14)13-4-2-1-3-5-13;7-6(9)5-2-1-3-8-4-5/h6-10,13H,1-5H2,(H,17,18);1-4H,(H2,7,9)
InChIKeyBGKRIHXZHSLFQQ-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.03
Rot. Bonds3

About 1-cyclohexylindole-5-carboxylic acid;pyridine-3-carboxamide

1-cyclohexylindole-5-carboxylic acid;pyridine-3-carboxamide (PubChem CID 157341268) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-cyclohexylindole-5-carboxylic acid;pyridine-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexylindole-5-carboxylic acid;pyridine-3-carboxamide
PubChem CID157341268
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name1-cyclohexylindole-5-carboxylic acid;pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1.O=C(O)c1ccc2c(ccn2C2CCCCC2)c1
InChIInChI=1S/C15H17NO2.C6H6N2O/c17-15(18)12-6-7-14-11(10-12)8-9-16(14)13-4-2-1-3-5-13;7-6(9)5-2-1-3-8-4-5/h6-10,13H,1-5H2,(H,17,18);1-4H,(H2,7,9)
InChIKeyBGKRIHXZHSLFQQ-UHFFFAOYSA-N
XLogP4.03
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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methane;pyridine-3-carboxamide
CID 19390506
CID 175154223
CID 175154223
3-(1-methylpyrrolidin-2-yl)pyridine;pyridine-3-carboxamide;pyridine-3-carboxylic acid
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2-(1-cyclohexylindol-5-yl)propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylindole-5-carboxylic acid;pyridine-3-carboxamide?
The IUPAC name of 1-cyclohexylindole-5-carboxylic acid;pyridine-3-carboxamide (CID 157341268) is 1-cyclohexylindole-5-carboxylic acid;pyridine-3-carboxamide.
What is the SMILES notation for 1-cyclohexylindole-5-carboxylic acid;pyridine-3-carboxamide?
The canonical SMILES for 1-cyclohexylindole-5-carboxylic acid;pyridine-3-carboxamide is NC(=O)c1cccnc1.O=C(O)c1ccc2c(ccn2C2CCCCC2)c1.
What is the InChIKey of 1-cyclohexylindole-5-carboxylic acid;pyridine-3-carboxamide?
The InChIKey is BGKRIHXZHSLFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2.C6H6N2O/c17-15(18)12-6-7-14-11(10-12)8-9-16(14)13-4-2-1-3-5-13;7-6(9)5-2-1-3-8-4-5/h6-10,13H,1-5H2,(H,17,18);1-4H,(H2,7,9).
What are the key properties of 1-cyclohexylindole-5-carboxylic acid;pyridine-3-carboxamide?
1-cyclohexylindole-5-carboxylic acid;pyridine-3-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylindole-5-carboxylic acid;pyridine-3-carboxamide is sourced from PubChem (CID 157341268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).