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

C25H26FN3O4 — CID 134609477

IUPACN-[3-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide
SMILESCOc1ncc(-c2cc(NC(=O)c3cc(C(C)(C)O)ccn3)ccc2C)cc1C1(F)COC1
InChIInChI=1S/C25H26FN3O4/c1-15-5-6-18(29-22(30)21-10-17(7-8-27-21)24(2,3)31)11-19(15)16-9-20(23(32-4)28-12-16)25(26)13-33-14-25/h5-12,31H,13-14H2,1-4H3,(H,29,30)
InChIKeySZWQBOLNPPTGES-UHFFFAOYSA-N
MW451.50 g/mol
LogP4.14
Rot. Bonds6

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

N-[3-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide (PubChem CID 134609477) has the molecular formula C25H26FN3O4 and a molecular weight of 451.50 g/mol. Its IUPAC name is N-[3-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide
PubChem CID134609477
Molecular FormulaC25H26FN3O4
Molecular Weight451.50 g/mol
Exact Mass451.19
IUPAC NameN-[3-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide
SMILESCOc1ncc(-c2cc(NC(=O)c3cc(C(C)(C)O)ccn3)ccc2C)cc1C1(F)COC1
InChIInChI=1S/C25H26FN3O4/c1-15-5-6-18(29-22(30)21-10-17(7-8-27-21)24(2,3)31)11-19(15)16-9-20(23(32-4)28-12-16)25(26)13-33-14-25/h5-12,31H,13-14H2,1-4H3,(H,29,30)
InChIKeySZWQBOLNPPTGES-UHFFFAOYSA-N
XLogP4.14
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 54.14
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-methoxy-3-pyridinyl]-4-methylphenyl]-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-[3-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide (CID 134609477) is N-[3-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide is COc1ncc(-c2cc(NC(=O)c3cc(C(C)(C)O)ccn3)ccc2C)cc1C1(F)COC1.
What is the InChIKey of N-[3-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide?
The InChIKey is SZWQBOLNPPTGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O4/c1-15-5-6-18(29-22(30)21-10-17(7-8-27-21)24(2,3)31)11-19(15)16-9-20(23(32-4)28-12-16)25(26)13-33-14-25/h5-12,31H,13-14H2,1-4H3,(H,29,30).
What are the key properties of N-[3-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide?
N-[3-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide has a molecular weight of 451.50 g/mol, XLogP of 4.14, 6 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-methoxy-3-pyridinyl]-4-methylphenyl]-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 134609477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).