N-[3-[5-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-3-pyridinyl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide

C26H27F2N3O4 — CID 134609355

IUPACN-[3-[5-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-3-pyridinyl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cnc(OCCO)c(C2(F)COC2)c1
InChIInChI=1S/C26H27F2N3O4/c1-16-4-5-19(31-23(33)17-6-7-29-22(11-17)25(2,3)27)12-20(16)18-10-21(26(28)14-34-15-26)24(30-13-18)35-9-8-32/h4-7,10-13,32H,8-9,14-15H2,1-3H3,(H,31,33)
InChIKeyTXKYMVOKGCIMRU-UHFFFAOYSA-N
MW483.52 g/mol
LogP4.48
Rot. Bonds8

About N-[3-[5-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-3-pyridinyl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide

N-[3-[5-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-3-pyridinyl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide (PubChem CID 134609355) has the molecular formula C26H27F2N3O4 and a molecular weight of 483.52 g/mol. Its IUPAC name is N-[3-[5-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-3-pyridinyl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[5-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-3-pyridinyl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
PubChem CID134609355
Molecular FormulaC26H27F2N3O4
Molecular Weight483.52 g/mol
Exact Mass483.20
IUPAC NameN-[3-[5-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-3-pyridinyl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cnc(OCCO)c(C2(F)COC2)c1
InChIInChI=1S/C26H27F2N3O4/c1-16-4-5-19(31-23(33)17-6-7-29-22(11-17)25(2,3)27)12-20(16)18-10-21(26(28)14-34-15-26)24(30-13-18)35-9-8-32/h4-7,10-13,32H,8-9,14-15H2,1-3H3,(H,31,33)
InChIKeyTXKYMVOKGCIMRU-UHFFFAOYSA-N
XLogP4.48
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.52
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-3-pyridinyl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide?
The IUPAC name of N-[3-[5-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-3-pyridinyl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide (CID 134609355) is N-[3-[5-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-3-pyridinyl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[5-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-3-pyridinyl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[3-[5-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-3-pyridinyl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cnc(OCCO)c(C2(F)COC2)c1.
What is the InChIKey of N-[3-[5-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-3-pyridinyl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide?
The InChIKey is TXKYMVOKGCIMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N3O4/c1-16-4-5-19(31-23(33)17-6-7-29-22(11-17)25(2,3)27)12-20(16)18-10-21(26(28)14-34-15-26)24(30-13-18)35-9-8-32/h4-7,10-13,32H,8-9,14-15H2,1-3H3,(H,31,33).
What are the key properties of N-[3-[5-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-3-pyridinyl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide?
N-[3-[5-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-3-pyridinyl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide has a molecular weight of 483.52 g/mol, XLogP of 4.48, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(3-fluorooxetan-3-yl)-6-(2-hydroxyethoxy)-3-pyridinyl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134609355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).