N-(4-chlorophenyl)-6-[[2-(methylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide

C23H18ClN3O2 — CID 24822265

IUPACN-(4-chlorophenyl)-6-[[2-(methylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide
SMILESCNc1cc(Oc2ccc3c(C(=O)Nc4ccc(Cl)cc4)cccc3c2)ccn1
InChIInChI=1S/C23H18ClN3O2/c1-25-22-14-19(11-12-26-22)29-18-9-10-20-15(13-18)3-2-4-21(20)23(28)27-17-7-5-16(24)6-8-17/h2-14H,1H3,(H,25,26)(H,27,28)
InChIKeySXZVWFITJZXSHV-UHFFFAOYSA-N
MW403.87 g/mol
LogP5.97
Rot. Bonds5

About N-(4-chlorophenyl)-6-[[2-(methylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide

N-(4-chlorophenyl)-6-[[2-(methylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide (PubChem CID 24822265) has the molecular formula C23H18ClN3O2 and a molecular weight of 403.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-[[2-(methylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-[[2-(methylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide
PubChem CID24822265
Molecular FormulaC23H18ClN3O2
Molecular Weight403.87 g/mol
Exact Mass403.11
IUPAC NameN-(4-chlorophenyl)-6-[[2-(methylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide
SMILESCNc1cc(Oc2ccc3c(C(=O)Nc4ccc(Cl)cc4)cccc3c2)ccn1
InChIInChI=1S/C23H18ClN3O2/c1-25-22-14-19(11-12-26-22)29-18-9-10-20-15(13-18)3-2-4-21(20)23(28)27-17-7-5-16(24)6-8-17/h2-14H,1H3,(H,25,26)(H,27,28)
InChIKeySXZVWFITJZXSHV-UHFFFAOYSA-N
XLogP5.97
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.87
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-[[2-(methylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-6-[[2-(methylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide (CID 24822265) is N-(4-chlorophenyl)-6-[[2-(methylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-6-[[2-(methylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-6-[[2-(methylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide is CNc1cc(Oc2ccc3c(C(=O)Nc4ccc(Cl)cc4)cccc3c2)ccn1.
What is the InChIKey of N-(4-chlorophenyl)-6-[[2-(methylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide?
The InChIKey is SXZVWFITJZXSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2/c1-25-22-14-19(11-12-26-22)29-18-9-10-20-15(13-18)3-2-4-21(20)23(28)27-17-7-5-16(24)6-8-17/h2-14H,1H3,(H,25,26)(H,27,28).
What are the key properties of N-(4-chlorophenyl)-6-[[2-(methylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide?
N-(4-chlorophenyl)-6-[[2-(methylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide has a molecular weight of 403.87 g/mol, XLogP of 5.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-[[2-(methylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide is sourced from PubChem (CID 24822265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).