N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-1H-indole-3-carboxamide

C22H18FN3O2 — CID 60553697

IUPACN-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccccc2c1C(=O)NCc1cccnc1Oc1cccc(F)c1
InChIInChI=1S/C22H18FN3O2/c1-14-20(18-9-2-3-10-19(18)26-14)21(27)25-13-15-6-5-11-24-22(15)28-17-8-4-7-16(23)12-17/h2-12,26H,13H2,1H3,(H,25,27)
InChIKeyPRLDVLNNFZBUDW-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.73
Rot. Bonds5

About N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-1H-indole-3-carboxamide

N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-1H-indole-3-carboxamide (PubChem CID 60553697) has the molecular formula C22H18FN3O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-1H-indole-3-carboxamide
PubChem CID60553697
Molecular FormulaC22H18FN3O2
Molecular Weight375.40 g/mol
Exact Mass375.14
IUPAC NameN-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccccc2c1C(=O)NCc1cccnc1Oc1cccc(F)c1
InChIInChI=1S/C22H18FN3O2/c1-14-20(18-9-2-3-10-19(18)26-14)21(27)25-13-15-6-5-11-24-22(15)28-17-8-4-7-16(23)12-17/h2-12,26H,13H2,1H3,(H,25,27)
InChIKeyPRLDVLNNFZBUDW-UHFFFAOYSA-N
XLogP4.73
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-[[2-(3-fluorophenoxy)-3-pyridinyl]methylcarbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate
CID 60512388
3,5-dichloro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1H-indole-2-carboxamide
CID 55965841
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methylsulfonylbenzamide
CID 60553727
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(2-methoxyethylamino)acetamide
CID 119847870
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methylquinoline-3-carboxamide
CID 86986167
1-benzyl-5-chloro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-methylpyrazole-4-carboxamide
CID 55692792
N-[2-[[2-(3-fluorophenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 55837977
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]methanesulfonamide
CID 39660247
4-amino-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-methoxybutanamide
CID 120595328
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119847855
3-fluoro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-methyl-5-nitrobenzamide
CID 55777394
2-fluoro-N-[1-[[2-(3-fluorophenoxy)-3-pyridinyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55692739

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-1H-indole-3-carboxamide?
The IUPAC name of N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-1H-indole-3-carboxamide (CID 60553697) is N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-1H-indole-3-carboxamide.
What is the SMILES notation for N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-1H-indole-3-carboxamide?
The canonical SMILES for N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-1H-indole-3-carboxamide is Cc1[nH]c2ccccc2c1C(=O)NCc1cccnc1Oc1cccc(F)c1.
What is the InChIKey of N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-1H-indole-3-carboxamide?
The InChIKey is PRLDVLNNFZBUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2/c1-14-20(18-9-2-3-10-19(18)26-14)21(27)25-13-15-6-5-11-24-22(15)28-17-8-4-7-16(23)12-17/h2-12,26H,13H2,1H3,(H,25,27).
What are the key properties of N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-1H-indole-3-carboxamide?
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-1H-indole-3-carboxamide has a molecular weight of 375.40 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 60553697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).