4-[5-[2-[4-(2,4-difluoro-3-pyridinyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide

C30H21F2N3O3 — CID 58264139

IUPAC4-[5-[2-[4-(2,4-difluoro-3-pyridinyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cccc3c(C(=O)Cc4ccc(-c5c(F)ccnc5F)cc4)cccc23)ccn1
InChIInChI=1S/C30H21F2N3O3/c1-33-30(37)25-17-20(12-14-34-25)38-27-7-3-4-21-22(5-2-6-23(21)27)26(36)16-18-8-10-19(11-9-18)28-24(31)13-15-35-29(28)32/h2-15,17H,16H2,1H3,(H,33,37)
InChIKeyWLFDQRXCVNRQCQ-UHFFFAOYSA-N
MW509.51 g/mol
LogP6.15
Rot. Bonds7

About 4-[5-[2-[4-(2,4-difluoro-3-pyridinyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide

4-[5-[2-[4-(2,4-difluoro-3-pyridinyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide (PubChem CID 58264139) has the molecular formula C30H21F2N3O3 and a molecular weight of 509.51 g/mol. Its IUPAC name is 4-[5-[2-[4-(2,4-difluoro-3-pyridinyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[5-[2-[4-(2,4-difluoro-3-pyridinyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide
PubChem CID58264139
Molecular FormulaC30H21F2N3O3
Molecular Weight509.51 g/mol
Exact Mass509.16
IUPAC Name4-[5-[2-[4-(2,4-difluoro-3-pyridinyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cccc3c(C(=O)Cc4ccc(-c5c(F)ccnc5F)cc4)cccc23)ccn1
InChIInChI=1S/C30H21F2N3O3/c1-33-30(37)25-17-20(12-14-34-25)38-27-7-3-4-21-22(5-2-6-23(21)27)26(36)16-18-8-10-19(11-9-18)28-24(31)13-15-35-29(28)32/h2-15,17H,16H2,1H3,(H,33,37)
InChIKeyWLFDQRXCVNRQCQ-UHFFFAOYSA-N
XLogP6.15
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.51
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 4-[5-[2-[4-(2,4-difluoro-3-pyridinyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[5-[2-[4-(2,4-difluoro-3-pyridinyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide (CID 58264139) is 4-[5-[2-[4-(2,4-difluoro-3-pyridinyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[5-[2-[4-(2,4-difluoro-3-pyridinyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[5-[2-[4-(2,4-difluoro-3-pyridinyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2cccc3c(C(=O)Cc4ccc(-c5c(F)ccnc5F)cc4)cccc23)ccn1.
What is the InChIKey of 4-[5-[2-[4-(2,4-difluoro-3-pyridinyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide?
The InChIKey is WLFDQRXCVNRQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21F2N3O3/c1-33-30(37)25-17-20(12-14-34-25)38-27-7-3-4-21-22(5-2-6-23(21)27)26(36)16-18-8-10-19(11-9-18)28-24(31)13-15-35-29(28)32/h2-15,17H,16H2,1H3,(H,33,37).
What are the key properties of 4-[5-[2-[4-(2,4-difluoro-3-pyridinyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide?
4-[5-[2-[4-(2,4-difluoro-3-pyridinyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide has a molecular weight of 509.51 g/mol, XLogP of 6.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-[4-(2,4-difluoro-3-pyridinyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 58264139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).