N-[5-[2-[3-(fluoromethyl)oxetan-3-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide

C26H28F2N4O4 — CID 134609634

IUPACN-[5-[2-[3-(fluoromethyl)oxetan-3-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
SMILESCc1ncc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cc(OCCO)nc(C2(CF)COC2)c1
InChIInChI=1S/C26H28F2N4O4/c1-16-20(18-9-22(26(13-27)14-35-15-26)32-23(10-18)36-7-6-33)11-19(12-30-16)31-24(34)17-4-5-29-21(8-17)25(2,3)28/h4-5,8-12,33H,6-7,13-15H2,1-3H3,(H,31,34)
InChIKeyAGOXUTAYUGZEIV-UHFFFAOYSA-N
MW498.53 g/mol
LogP3.91
Rot. Bonds9

About N-[5-[2-[3-(fluoromethyl)oxetan-3-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide

N-[5-[2-[3-(fluoromethyl)oxetan-3-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide (PubChem CID 134609634) has the molecular formula C26H28F2N4O4 and a molecular weight of 498.53 g/mol. Its IUPAC name is N-[5-[2-[3-(fluoromethyl)oxetan-3-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[2-[3-(fluoromethyl)oxetan-3-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
PubChem CID134609634
Molecular FormulaC26H28F2N4O4
Molecular Weight498.53 g/mol
Exact Mass498.21
IUPAC NameN-[5-[2-[3-(fluoromethyl)oxetan-3-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
SMILESCc1ncc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cc(OCCO)nc(C2(CF)COC2)c1
InChIInChI=1S/C26H28F2N4O4/c1-16-20(18-9-22(26(13-27)14-35-15-26)32-23(10-18)36-7-6-33)11-19(12-30-16)31-24(34)17-4-5-29-21(8-17)25(2,3)28/h4-5,8-12,33H,6-7,13-15H2,1-3H3,(H,31,34)
InChIKeyAGOXUTAYUGZEIV-UHFFFAOYSA-N
XLogP3.91
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.53
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[3-(fluoromethyl)oxetan-3-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide?
The IUPAC name of N-[5-[2-[3-(fluoromethyl)oxetan-3-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide (CID 134609634) is N-[5-[2-[3-(fluoromethyl)oxetan-3-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[5-[2-[3-(fluoromethyl)oxetan-3-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[5-[2-[3-(fluoromethyl)oxetan-3-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide is Cc1ncc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cc(OCCO)nc(C2(CF)COC2)c1.
What is the InChIKey of N-[5-[2-[3-(fluoromethyl)oxetan-3-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide?
The InChIKey is AGOXUTAYUGZEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N4O4/c1-16-20(18-9-22(26(13-27)14-35-15-26)32-23(10-18)36-7-6-33)11-19(12-30-16)31-24(34)17-4-5-29-21(8-17)25(2,3)28/h4-5,8-12,33H,6-7,13-15H2,1-3H3,(H,31,34).
What are the key properties of N-[5-[2-[3-(fluoromethyl)oxetan-3-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide?
N-[5-[2-[3-(fluoromethyl)oxetan-3-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide has a molecular weight of 498.53 g/mol, XLogP of 3.91, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[3-(fluoromethyl)oxetan-3-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134609634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).