N-[(6-cyclopropyloxy-5-fluoro-3-pyridinyl)methyl]-2-fluoro-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide

C22H19F2N3O3 — CID 169245851

IUPACN-[(6-cyclopropyloxy-5-fluoro-3-pyridinyl)methyl]-2-fluoro-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide
SMILESO=C(NCc1cnc(OC2CC2)c(F)c1)c1cc(-c2ncccc2CO)ccc1F
InChIInChI=1S/C22H19F2N3O3/c23-18-6-3-14(20-15(12-28)2-1-7-25-20)9-17(18)21(29)26-10-13-8-19(24)22(27-11-13)30-16-4-5-16/h1-3,6-9,11,16,28H,4-5,10,12H2,(H,26,29)
InChIKeyYJADLLPHGQFDBZ-UHFFFAOYSA-N
MW411.41 g/mol
LogP3.39
Rot. Bonds7

About N-[(6-cyclopropyloxy-5-fluoro-3-pyridinyl)methyl]-2-fluoro-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide

N-[(6-cyclopropyloxy-5-fluoro-3-pyridinyl)methyl]-2-fluoro-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide (PubChem CID 169245851) has the molecular formula C22H19F2N3O3 and a molecular weight of 411.41 g/mol. Its IUPAC name is N-[(6-cyclopropyloxy-5-fluoro-3-pyridinyl)methyl]-2-fluoro-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[(6-cyclopropyloxy-5-fluoro-3-pyridinyl)methyl]-2-fluoro-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide
PubChem CID169245851
Molecular FormulaC22H19F2N3O3
Molecular Weight411.41 g/mol
Exact Mass411.14
IUPAC NameN-[(6-cyclopropyloxy-5-fluoro-3-pyridinyl)methyl]-2-fluoro-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide
SMILESO=C(NCc1cnc(OC2CC2)c(F)c1)c1cc(-c2ncccc2CO)ccc1F
InChIInChI=1S/C22H19F2N3O3/c23-18-6-3-14(20-15(12-28)2-1-7-25-20)9-17(18)21(29)26-10-13-8-19(24)22(27-11-13)30-16-4-5-16/h1-3,6-9,11,16,28H,4-5,10,12H2,(H,26,29)
InChIKeyYJADLLPHGQFDBZ-UHFFFAOYSA-N
XLogP3.39
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-cyclopropyloxy-5-fluoro-3-pyridinyl)methyl]-2-fluoro-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide?
The IUPAC name of N-[(6-cyclopropyloxy-5-fluoro-3-pyridinyl)methyl]-2-fluoro-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide (CID 169245851) is N-[(6-cyclopropyloxy-5-fluoro-3-pyridinyl)methyl]-2-fluoro-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-[(6-cyclopropyloxy-5-fluoro-3-pyridinyl)methyl]-2-fluoro-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide?
The canonical SMILES for N-[(6-cyclopropyloxy-5-fluoro-3-pyridinyl)methyl]-2-fluoro-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide is O=C(NCc1cnc(OC2CC2)c(F)c1)c1cc(-c2ncccc2CO)ccc1F.
What is the InChIKey of N-[(6-cyclopropyloxy-5-fluoro-3-pyridinyl)methyl]-2-fluoro-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide?
The InChIKey is YJADLLPHGQFDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O3/c23-18-6-3-14(20-15(12-28)2-1-7-25-20)9-17(18)21(29)26-10-13-8-19(24)22(27-11-13)30-16-4-5-16/h1-3,6-9,11,16,28H,4-5,10,12H2,(H,26,29).
What are the key properties of N-[(6-cyclopropyloxy-5-fluoro-3-pyridinyl)methyl]-2-fluoro-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide?
N-[(6-cyclopropyloxy-5-fluoro-3-pyridinyl)methyl]-2-fluoro-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide has a molecular weight of 411.41 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-cyclopropyloxy-5-fluoro-3-pyridinyl)methyl]-2-fluoro-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 169245851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).