N-(1-adamantyl)-1-pentylpyrrolo[2,3-c]pyridine-3-carboxamide

C23H31N3O — CID 137346242

IUPACN-(1-adamantyl)-1-pentylpyrrolo[2,3-c]pyridine-3-carboxamide
SMILESCCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2ccncc21
InChIInChI=1S/C23H31N3O/c1-2-3-4-7-26-15-20(19-5-6-24-14-21(19)26)22(27)25-23-11-16-8-17(12-23)10-18(9-16)13-23/h5-6,14-18H,2-4,7-13H2,1H3,(H,25,27)
InChIKeySXIBFYQLRWQQNX-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.93
Rot. Bonds6

About N-(1-adamantyl)-1-pentylpyrrolo[2,3-c]pyridine-3-carboxamide

N-(1-adamantyl)-1-pentylpyrrolo[2,3-c]pyridine-3-carboxamide (PubChem CID 137346242) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is N-(1-adamantyl)-1-pentylpyrrolo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1-pentylpyrrolo[2,3-c]pyridine-3-carboxamide
PubChem CID137346242
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC NameN-(1-adamantyl)-1-pentylpyrrolo[2,3-c]pyridine-3-carboxamide
SMILESCCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2ccncc21
InChIInChI=1S/C23H31N3O/c1-2-3-4-7-26-15-20(19-5-6-24-14-21(19)26)22(27)25-23-11-16-8-17(12-23)10-18(9-16)13-23/h5-6,14-18H,2-4,7-13H2,1H3,(H,25,27)
InChIKeySXIBFYQLRWQQNX-UHFFFAOYSA-N
XLogP4.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxy-1-adamantyl)-1-pentylindole-3-carboxamide
CID 118544036
N-(1-adamantyl)-1-(5-fluoro-4-hydroxypentyl)indole-3-carboxamide
CID 154709469
N-(1-adamantyl)-4-oxo-1-pentyl-7-phenylsulfanylquinoline-3-carboxamide
CID 25034605
N-(1-adamantyl)-4-oxo-1-pentyl-6-(2-phenylethynyl)quinoline-3-carboxamide
CID 46915339
N-(1-adamantyl)-6-(benzenesulfinyl)-4-oxo-1-pentylquinoline-3-carboxamide
CID 46914723
1-pentylpyrrolo[3,2-c]pyridine-3-carboxamide
CID 159841368
N-(1-adamantyl)-2-(4-methylthiophen-2-yl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 71681502
N-(1-adamantyl)-6-(furan-2-yl)-8-methoxy-4-oxo-1-pentylquinoline-3-carboxamide
CID 53387350
N-(1-adamantyl)-6-methyl-4-oxo-1-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
CID 71453477
N-(1-adamantyl)-3,4-dipentoxybenzamide
CID 44759498
N-[1-(1-adamantyl)ethyl]-7-chloro-4-oxo-1-pentylquinoline-3-carboxamide
CID 23636259
N-(1-adamantyl)hexanamide
CID 4687392

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-1-pentylpyrrolo[2,3-c]pyridine-3-carboxamide?
The IUPAC name of N-(1-adamantyl)-1-pentylpyrrolo[2,3-c]pyridine-3-carboxamide (CID 137346242) is N-(1-adamantyl)-1-pentylpyrrolo[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-1-pentylpyrrolo[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)-1-pentylpyrrolo[2,3-c]pyridine-3-carboxamide is CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2ccncc21.
What is the InChIKey of N-(1-adamantyl)-1-pentylpyrrolo[2,3-c]pyridine-3-carboxamide?
The InChIKey is SXIBFYQLRWQQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-2-3-4-7-26-15-20(19-5-6-24-14-21(19)26)22(27)25-23-11-16-8-17(12-23)10-18(9-16)13-23/h5-6,14-18H,2-4,7-13H2,1H3,(H,25,27).
What are the key properties of N-(1-adamantyl)-1-pentylpyrrolo[2,3-c]pyridine-3-carboxamide?
N-(1-adamantyl)-1-pentylpyrrolo[2,3-c]pyridine-3-carboxamide has a molecular weight of 365.52 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-pentylpyrrolo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 137346242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).