N-(4-chlorophenyl)-4-(pyridin-4-ylmethoxy)-1H-indole-3-carboxamide

C21H16ClN3O2 — CID 42599888

IUPACN-(4-chlorophenyl)-4-(pyridin-4-ylmethoxy)-1H-indole-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1c[nH]c2cccc(OCc3ccncc3)c12
InChIInChI=1S/C21H16ClN3O2/c22-15-4-6-16(7-5-15)25-21(26)17-12-24-18-2-1-3-19(20(17)18)27-13-14-8-10-23-11-9-14/h1-12,24H,13H2,(H,25,26)
InChIKeyMGXCNKUKYQOLAT-UHFFFAOYSA-N
MW377.83 g/mol
LogP5.05
Rot. Bonds5

About N-(4-chlorophenyl)-4-(pyridin-4-ylmethoxy)-1H-indole-3-carboxamide

N-(4-chlorophenyl)-4-(pyridin-4-ylmethoxy)-1H-indole-3-carboxamide (PubChem CID 42599888) has the molecular formula C21H16ClN3O2 and a molecular weight of 377.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(pyridin-4-ylmethoxy)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(pyridin-4-ylmethoxy)-1H-indole-3-carboxamide
PubChem CID42599888
Molecular FormulaC21H16ClN3O2
Molecular Weight377.83 g/mol
Exact Mass377.09
IUPAC NameN-(4-chlorophenyl)-4-(pyridin-4-ylmethoxy)-1H-indole-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1c[nH]c2cccc(OCc3ccncc3)c12
InChIInChI=1S/C21H16ClN3O2/c22-15-4-6-16(7-5-15)25-21(26)17-12-24-18-2-1-3-19(20(17)18)27-13-14-8-10-23-11-9-14/h1-12,24H,13H2,(H,25,26)
InChIKeyMGXCNKUKYQOLAT-UHFFFAOYSA-N
XLogP5.05
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.83
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(pyridin-4-ylmethoxy)-1H-indole-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-(pyridin-4-ylmethoxy)-1H-indole-3-carboxamide (CID 42599888) is N-(4-chlorophenyl)-4-(pyridin-4-ylmethoxy)-1H-indole-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(pyridin-4-ylmethoxy)-1H-indole-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(pyridin-4-ylmethoxy)-1H-indole-3-carboxamide is O=C(Nc1ccc(Cl)cc1)c1c[nH]c2cccc(OCc3ccncc3)c12.
What is the InChIKey of N-(4-chlorophenyl)-4-(pyridin-4-ylmethoxy)-1H-indole-3-carboxamide?
The InChIKey is MGXCNKUKYQOLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O2/c22-15-4-6-16(7-5-15)25-21(26)17-12-24-18-2-1-3-19(20(17)18)27-13-14-8-10-23-11-9-14/h1-12,24H,13H2,(H,25,26).
What are the key properties of N-(4-chlorophenyl)-4-(pyridin-4-ylmethoxy)-1H-indole-3-carboxamide?
N-(4-chlorophenyl)-4-(pyridin-4-ylmethoxy)-1H-indole-3-carboxamide has a molecular weight of 377.83 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(pyridin-4-ylmethoxy)-1H-indole-3-carboxamide is sourced from PubChem (CID 42599888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).