2-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide

C23H28N4O — CID 109173684

IUPAC2-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccnc(NC2CCCCCC2)c1
InChIInChI=1S/C23H28N4O/c28-23(25-14-12-18-16-26-21-10-6-5-9-20(18)21)17-11-13-24-22(15-17)27-19-7-3-1-2-4-8-19/h5-6,9-11,13,15-16,19,26H,1-4,7-8,12,14H2,(H,24,27)(H,25,28)
InChIKeyGJXBXRAPJNFSBQ-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.67
Rot. Bonds6

About 2-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide

2-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide (PubChem CID 109173684) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
PubChem CID109173684
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name2-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccnc(NC2CCCCCC2)c1
InChIInChI=1S/C23H28N4O/c28-23(25-14-12-18-16-26-21-10-6-5-9-20(18)21)17-11-13-24-22(15-17)27-19-7-3-1-2-4-8-19/h5-6,9-11,13,15-16,19,26H,1-4,7-8,12,14H2,(H,24,27)(H,25,28)
InChIKeyGJXBXRAPJNFSBQ-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

2-(cyclohexylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 109166332
6-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109159738
6-(cyclohexylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109152401
2-anilino-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 109173692
5-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 109285624
N-[2-(1H-indol-3-yl)ethyl]-2-(prop-2-enylamino)pyridine-4-carboxamide
CID 109165348
2-(cycloheptylamino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172729
2-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 109170646
2-(cyclopropylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
CID 109247506
N-[2-(1H-indol-3-yl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide
CID 109173719
N-[2-(dimethylamino)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]pyridine-4-carboxamide
CID 109167678
N-[2-(1H-indol-3-yl)ethyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100734079

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide (CID 109173684) is 2-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1ccnc(NC2CCCCCC2)c1.
What is the InChIKey of 2-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is GJXBXRAPJNFSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c28-23(25-14-12-18-16-26-21-10-6-5-9-20(18)21)17-11-13-24-22(15-17)27-19-7-3-1-2-4-8-19/h5-6,9-11,13,15-16,19,26H,1-4,7-8,12,14H2,(H,24,27)(H,25,28).
What are the key properties of 2-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide?
2-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-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 2-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 109173684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).