6-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide

C23H28N4O — CID 109159738

IUPAC6-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccc(NC2CCCCCC2)nc1
InChIInChI=1S/C23H28N4O/c28-23(24-14-13-17-15-25-21-10-6-5-9-20(17)21)18-11-12-22(26-16-18)27-19-7-3-1-2-4-8-19/h5-6,9-12,15-16,19,25H,1-4,7-8,13-14H2,(H,24,28)(H,26,27)
InChIKeyMPLUHNBGFGWJJN-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.67
Rot. Bonds6

About 6-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide

6-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide (PubChem CID 109159738) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 6-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
PubChem CID109159738
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name6-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccc(NC2CCCCCC2)nc1
InChIInChI=1S/C23H28N4O/c28-23(24-14-13-17-15-25-21-10-6-5-9-20(17)21)18-11-12-22(26-16-18)27-19-7-3-1-2-4-8-19/h5-6,9-12,15-16,19,25H,1-4,7-8,13-14H2,(H,24,28)(H,26,27)
InChIKeyMPLUHNBGFGWJJN-UHFFFAOYSA-N
XLogP4.67
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-(cyclohexylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109152401
5-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 109285624
2-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 109173684
2-(cyclohexylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 109166332
2-(cyclopropylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
CID 109247506
6-(4-chloroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109159757
N-[2-(1H-indol-3-yl)ethyl]-6-(2-methylanilino)pyridine-3-carboxamide
CID 109159746
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
N-[2-(1H-indol-3-yl)ethyl]-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155968
6-(2-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109159767
6-(2,4-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109159765
6-[2-(1H-indol-3-yl)ethylamino]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109151886

Frequently Asked Questions

What is the IUPAC name of 6-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide (CID 109159738) is 6-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1ccc(NC2CCCCCC2)nc1.
What is the InChIKey of 6-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is MPLUHNBGFGWJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c28-23(24-14-13-17-15-25-21-10-6-5-9-20(17)21)18-11-12-22(26-16-18)27-19-7-3-1-2-4-8-19/h5-6,9-12,15-16,19,25H,1-4,7-8,13-14H2,(H,24,28)(H,26,27).
What are the key properties of 6-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide?
6-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 4.67, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 109159738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).