N-(4-chlorophenyl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalene-1-carboxamide

C24H16ClN3O2 — CID 59813234

IUPACN-(4-chlorophenyl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cccc2cc(Oc3ccnc4[nH]ccc34)ccc12
InChIInChI=1S/C24H16ClN3O2/c25-16-4-6-17(7-5-16)28-24(29)20-3-1-2-15-14-18(8-9-19(15)20)30-22-11-13-27-23-21(22)10-12-26-23/h1-14H,(H,26,27)(H,28,29)
InChIKeyQBAGNPYLMZSCTF-UHFFFAOYSA-N
MW413.86 g/mol
LogP6.41
Rot. Bonds4

About N-(4-chlorophenyl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalene-1-carboxamide

N-(4-chlorophenyl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalene-1-carboxamide (PubChem CID 59813234) has the molecular formula C24H16ClN3O2 and a molecular weight of 413.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalene-1-carboxamide
PubChem CID59813234
Molecular FormulaC24H16ClN3O2
Molecular Weight413.86 g/mol
Exact Mass413.09
IUPAC NameN-(4-chlorophenyl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cccc2cc(Oc3ccnc4[nH]ccc34)ccc12
InChIInChI=1S/C24H16ClN3O2/c25-16-4-6-17(7-5-16)28-24(29)20-3-1-2-15-14-18(8-9-19(15)20)30-22-11-13-27-23-21(22)10-12-26-23/h1-14H,(H,26,27)(H,28,29)
InChIKeyQBAGNPYLMZSCTF-UHFFFAOYSA-N
XLogP6.41
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.86
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalene-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalene-1-carboxamide (CID 59813234) is N-(4-chlorophenyl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalene-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalene-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalene-1-carboxamide is O=C(Nc1ccc(Cl)cc1)c1cccc2cc(Oc3ccnc4[nH]ccc34)ccc12.
What is the InChIKey of N-(4-chlorophenyl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalene-1-carboxamide?
The InChIKey is QBAGNPYLMZSCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN3O2/c25-16-4-6-17(7-5-16)28-24(29)20-3-1-2-15-14-18(8-9-19(15)20)30-22-11-13-27-23-21(22)10-12-26-23/h1-14H,(H,26,27)(H,28,29).
What are the key properties of N-(4-chlorophenyl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalene-1-carboxamide?
N-(4-chlorophenyl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalene-1-carboxamide has a molecular weight of 413.86 g/mol, XLogP of 6.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalene-1-carboxamide is sourced from PubChem (CID 59813234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).