N-[6-[(2-chloro-3-pyridinyl)oxy]-3-pyridinyl]-1H-indole-3-carboxamide

C19H13ClN4O2 — CID 24894071

IUPACN-[6-[(2-chloro-3-pyridinyl)oxy]-3-pyridinyl]-1H-indole-3-carboxamide
SMILESO=C(Nc1ccc(Oc2cccnc2Cl)nc1)c1c[nH]c2ccccc12
InChIInChI=1S/C19H13ClN4O2/c20-18-16(6-3-9-21-18)26-17-8-7-12(10-23-17)24-19(25)14-11-22-15-5-2-1-4-13(14)15/h1-11,22H,(H,24,25)
InChIKeySMRGPXRMTZVWME-UHFFFAOYSA-N
MW364.79 g/mol
LogP4.66
Rot. Bonds4

About N-[6-[(2-chloro-3-pyridinyl)oxy]-3-pyridinyl]-1H-indole-3-carboxamide

N-[6-[(2-chloro-3-pyridinyl)oxy]-3-pyridinyl]-1H-indole-3-carboxamide (PubChem CID 24894071) has the molecular formula C19H13ClN4O2 and a molecular weight of 364.79 g/mol. Its IUPAC name is N-[6-[(2-chloro-3-pyridinyl)oxy]-3-pyridinyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[6-[(2-chloro-3-pyridinyl)oxy]-3-pyridinyl]-1H-indole-3-carboxamide
PubChem CID24894071
Molecular FormulaC19H13ClN4O2
Molecular Weight364.79 g/mol
Exact Mass364.07
IUPAC NameN-[6-[(2-chloro-3-pyridinyl)oxy]-3-pyridinyl]-1H-indole-3-carboxamide
SMILESO=C(Nc1ccc(Oc2cccnc2Cl)nc1)c1c[nH]c2ccccc12
InChIInChI=1S/C19H13ClN4O2/c20-18-16(6-3-9-21-18)26-17-8-7-12(10-23-17)24-19(25)14-11-22-15-5-2-1-4-13(14)15/h1-11,22H,(H,24,25)
InChIKeySMRGPXRMTZVWME-UHFFFAOYSA-N
XLogP4.66
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(2-chloro-3-pyridinyl)oxy]-3-pyridinyl]-1H-indole-3-carboxamide?
The IUPAC name of N-[6-[(2-chloro-3-pyridinyl)oxy]-3-pyridinyl]-1H-indole-3-carboxamide (CID 24894071) is N-[6-[(2-chloro-3-pyridinyl)oxy]-3-pyridinyl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[6-[(2-chloro-3-pyridinyl)oxy]-3-pyridinyl]-1H-indole-3-carboxamide?
The canonical SMILES for N-[6-[(2-chloro-3-pyridinyl)oxy]-3-pyridinyl]-1H-indole-3-carboxamide is O=C(Nc1ccc(Oc2cccnc2Cl)nc1)c1c[nH]c2ccccc12.
What is the InChIKey of N-[6-[(2-chloro-3-pyridinyl)oxy]-3-pyridinyl]-1H-indole-3-carboxamide?
The InChIKey is SMRGPXRMTZVWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O2/c20-18-16(6-3-9-21-18)26-17-8-7-12(10-23-17)24-19(25)14-11-22-15-5-2-1-4-13(14)15/h1-11,22H,(H,24,25).
What are the key properties of N-[6-[(2-chloro-3-pyridinyl)oxy]-3-pyridinyl]-1H-indole-3-carboxamide?
N-[6-[(2-chloro-3-pyridinyl)oxy]-3-pyridinyl]-1H-indole-3-carboxamide has a molecular weight of 364.79 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2-chloro-3-pyridinyl)oxy]-3-pyridinyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 24894071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).