N-[5-[6-ethoxy-5-(3-hydroxyoxolan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide

C26H29FN4O4 — CID 134609670

IUPACN-[5-[6-ethoxy-5-(3-hydroxyoxolan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
SMILESCCOc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)F)c3)cnc2C)cc1C1(O)CCOC1
InChIInChI=1S/C26H29FN4O4/c1-5-35-24-21(26(33)7-9-34-15-26)10-18(13-30-24)20-12-19(14-29-16(20)2)31-23(32)17-6-8-28-22(11-17)25(3,4)27/h6,8,10-14,33H,5,7,9,15H2,1-4H3,(H,31,32)
InChIKeyJKIRHAVIYFTWKT-UHFFFAOYSA-N
MW480.54 g/mol
LogP4.31
Rot. Bonds7

About N-[5-[6-ethoxy-5-(3-hydroxyoxolan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide

N-[5-[6-ethoxy-5-(3-hydroxyoxolan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide (PubChem CID 134609670) has the molecular formula C26H29FN4O4 and a molecular weight of 480.54 g/mol. Its IUPAC name is N-[5-[6-ethoxy-5-(3-hydroxyoxolan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[6-ethoxy-5-(3-hydroxyoxolan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
PubChem CID134609670
Molecular FormulaC26H29FN4O4
Molecular Weight480.54 g/mol
Exact Mass480.22
IUPAC NameN-[5-[6-ethoxy-5-(3-hydroxyoxolan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
SMILESCCOc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)F)c3)cnc2C)cc1C1(O)CCOC1
InChIInChI=1S/C26H29FN4O4/c1-5-35-24-21(26(33)7-9-34-15-26)10-18(13-30-24)20-12-19(14-29-16(20)2)31-23(32)17-6-8-28-22(11-17)25(3,4)27/h6,8,10-14,33H,5,7,9,15H2,1-4H3,(H,31,32)
InChIKeyJKIRHAVIYFTWKT-UHFFFAOYSA-N
XLogP4.31
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[6-ethoxy-5-(3-hydroxyoxolan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide?
The IUPAC name of N-[5-[6-ethoxy-5-(3-hydroxyoxolan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide (CID 134609670) is N-[5-[6-ethoxy-5-(3-hydroxyoxolan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[5-[6-ethoxy-5-(3-hydroxyoxolan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[5-[6-ethoxy-5-(3-hydroxyoxolan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide is CCOc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)F)c3)cnc2C)cc1C1(O)CCOC1.
What is the InChIKey of N-[5-[6-ethoxy-5-(3-hydroxyoxolan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide?
The InChIKey is JKIRHAVIYFTWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O4/c1-5-35-24-21(26(33)7-9-34-15-26)10-18(13-30-24)20-12-19(14-29-16(20)2)31-23(32)17-6-8-28-22(11-17)25(3,4)27/h6,8,10-14,33H,5,7,9,15H2,1-4H3,(H,31,32).
What are the key properties of N-[5-[6-ethoxy-5-(3-hydroxyoxolan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide?
N-[5-[6-ethoxy-5-(3-hydroxyoxolan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide has a molecular weight of 480.54 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-ethoxy-5-(3-hydroxyoxolan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134609670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).