1-[(3-fluorophenyl)methyl]-N-[2-(2-methoxy-3-pyridinyl)ethyl]indole-3-carboxamide

C24H22FN3O2 — CID 166984636

IUPAC1-[(3-fluorophenyl)methyl]-N-[2-(2-methoxy-3-pyridinyl)ethyl]indole-3-carboxamide
SMILESCOc1ncccc1CCNC(=O)c1cn(Cc2cccc(F)c2)c2ccccc12
InChIInChI=1S/C24H22FN3O2/c1-30-24-18(7-5-12-27-24)11-13-26-23(29)21-16-28(22-10-3-2-9-20(21)22)15-17-6-4-8-19(25)14-17/h2-10,12,14,16H,11,13,15H2,1H3,(H,26,29)
InChIKeyIDWASBWDTLGFHA-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.20
Rot. Bonds7

About 1-[(3-fluorophenyl)methyl]-N-[2-(2-methoxy-3-pyridinyl)ethyl]indole-3-carboxamide

1-[(3-fluorophenyl)methyl]-N-[2-(2-methoxy-3-pyridinyl)ethyl]indole-3-carboxamide (PubChem CID 166984636) has the molecular formula C24H22FN3O2 and a molecular weight of 403.46 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-N-[2-(2-methoxy-3-pyridinyl)ethyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-N-[2-(2-methoxy-3-pyridinyl)ethyl]indole-3-carboxamide
PubChem CID166984636
Molecular FormulaC24H22FN3O2
Molecular Weight403.46 g/mol
Exact Mass403.17
IUPAC Name1-[(3-fluorophenyl)methyl]-N-[2-(2-methoxy-3-pyridinyl)ethyl]indole-3-carboxamide
SMILESCOc1ncccc1CCNC(=O)c1cn(Cc2cccc(F)c2)c2ccccc12
InChIInChI=1S/C24H22FN3O2/c1-30-24-18(7-5-12-27-24)11-13-26-23(29)21-16-28(22-10-3-2-9-20(21)22)15-17-6-4-8-19(25)14-17/h2-10,12,14,16H,11,13,15H2,1H3,(H,26,29)
InChIKeyIDWASBWDTLGFHA-UHFFFAOYSA-N
XLogP4.20
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(2-pyridin-2-ylethyl)indole-3-carboxamide
CID 31941346
1-[(4-chlorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]indole-3-carboxamide
CID 166984969
1-(2-methoxyethyl)-N-(2-pyridin-2-ylethyl)indole-3-carboxamide
CID 71704949
1-benzyl-N-propylindole-3-carboxamide
CID 24654500
[1-[(3-fluorophenyl)methyl]indol-3-yl]-naphthalen-1-ylmethanone
CID 134811800
4-[1-[(3-fluorophenyl)methyl]indol-3-yl]-N-[(3-methoxyphenyl)methyl]butanamide
CID 154688026
N-[2-(4-chloro-3-fluorophenyl)ethyl]-1-[(4-methylphenyl)methyl]indole-3-carboxamide
CID 166984638
3-[(3-fluorophenyl)methyl]-1-[(2-methoxy-3-pyridinyl)methyl]-1-methylurea
CID 53185039
2-(3-fluorophenyl)-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide
CID 53145109
3-[1-[(3-fluorophenyl)methyl]indol-3-yl]propanoic acid
CID 43825874
1-[(4-chlorophenyl)methyl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]indole-3-carboxamide
CID 166984640
N-[2-(2-fluorophenyl)ethyl]-1-methylindole-3-carboxamide
CID 40718604

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-N-[2-(2-methoxy-3-pyridinyl)ethyl]indole-3-carboxamide?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-N-[2-(2-methoxy-3-pyridinyl)ethyl]indole-3-carboxamide (CID 166984636) is 1-[(3-fluorophenyl)methyl]-N-[2-(2-methoxy-3-pyridinyl)ethyl]indole-3-carboxamide.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-N-[2-(2-methoxy-3-pyridinyl)ethyl]indole-3-carboxamide?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-N-[2-(2-methoxy-3-pyridinyl)ethyl]indole-3-carboxamide is COc1ncccc1CCNC(=O)c1cn(Cc2cccc(F)c2)c2ccccc12.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-N-[2-(2-methoxy-3-pyridinyl)ethyl]indole-3-carboxamide?
The InChIKey is IDWASBWDTLGFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2/c1-30-24-18(7-5-12-27-24)11-13-26-23(29)21-16-28(22-10-3-2-9-20(21)22)15-17-6-4-8-19(25)14-17/h2-10,12,14,16H,11,13,15H2,1H3,(H,26,29).
What are the key properties of 1-[(3-fluorophenyl)methyl]-N-[2-(2-methoxy-3-pyridinyl)ethyl]indole-3-carboxamide?
1-[(3-fluorophenyl)methyl]-N-[2-(2-methoxy-3-pyridinyl)ethyl]indole-3-carboxamide has a molecular weight of 403.46 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-N-[2-(2-methoxy-3-pyridinyl)ethyl]indole-3-carboxamide is sourced from PubChem (CID 166984636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).