N-(5-fluoro-2-pyridinyl)-6-methyl-4-(oxan-4-yloxy)pyridine-2-carboxamide

C17H18FN3O3 — CID 118613043

IUPACN-(5-fluoro-2-pyridinyl)-6-methyl-4-(oxan-4-yloxy)pyridine-2-carboxamide
SMILESCc1cc(OC2CCOCC2)cc(C(=O)Nc2ccc(F)cn2)n1
InChIInChI=1S/C17H18FN3O3/c1-11-8-14(24-13-4-6-23-7-5-13)9-15(20-11)17(22)21-16-3-2-12(18)10-19-16/h2-3,8-10,13H,4-7H2,1H3,(H,19,21,22)
InChIKeyRVQLWYSZIMPZSQ-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.73
Rot. Bonds4

About N-(5-fluoro-2-pyridinyl)-6-methyl-4-(oxan-4-yloxy)pyridine-2-carboxamide

N-(5-fluoro-2-pyridinyl)-6-methyl-4-(oxan-4-yloxy)pyridine-2-carboxamide (PubChem CID 118613043) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-6-methyl-4-(oxan-4-yloxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-6-methyl-4-(oxan-4-yloxy)pyridine-2-carboxamide
PubChem CID118613043
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC NameN-(5-fluoro-2-pyridinyl)-6-methyl-4-(oxan-4-yloxy)pyridine-2-carboxamide
SMILESCc1cc(OC2CCOCC2)cc(C(=O)Nc2ccc(F)cn2)n1
InChIInChI=1S/C17H18FN3O3/c1-11-8-14(24-13-4-6-23-7-5-13)9-15(20-11)17(22)21-16-3-2-12(18)10-19-16/h2-3,8-10,13H,4-7H2,1H3,(H,19,21,22)
InChIKeyRVQLWYSZIMPZSQ-UHFFFAOYSA-N
XLogP2.73
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Auglurant
CID 60168069
4-(4-((4-((3-acrylamidophenyl)amino)-5-fluoropyrimidin-2-yl)amino)phenoxy)-N-methylpicolinamide
CID 59174579
2-PyridinecarboxaMide, N-(5-fluoro-2-pyridinyl)-4-[(5-fluoro-3-pyridinyl)oxy]-6-Methyl-
CID 60197821
N-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]pyridine-2-carboxamide
CID 11603119
4-[(5-chloro-3-pyridinyl)oxy]-N-(5-fluoro-2-pyridinyl)-6-methylpyridine-2-carboxamide
CID 60196616
6-methyl-N-(6-methyl-2-pyridinyl)-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197614
N-(4-fluoro-2-pyridinyl)-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197712
N-(6-fluoro-2-pyridinyl)-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197713
N-(5-fluoro-2-pyridinyl)-6-methyl-4-(2-methylpyrimidin-5-yl)oxypyridine-2-carboxamide
CID 60197716
4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 60197822
N-(4-fluoro-2-pyridinyl)-4-[(5-fluoro-3-pyridinyl)oxy]-6-methylpyridine-2-carboxamide
CID 60197823
N-(5-chloro-2-pyridinyl)-4-[(5-fluoro-3-pyridinyl)oxy]-6-methylpyridine-2-carboxamide
CID 60197824

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-6-methyl-4-(oxan-4-yloxy)pyridine-2-carboxamide?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-6-methyl-4-(oxan-4-yloxy)pyridine-2-carboxamide (CID 118613043) is N-(5-fluoro-2-pyridinyl)-6-methyl-4-(oxan-4-yloxy)pyridine-2-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-6-methyl-4-(oxan-4-yloxy)pyridine-2-carboxamide?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-6-methyl-4-(oxan-4-yloxy)pyridine-2-carboxamide is Cc1cc(OC2CCOCC2)cc(C(=O)Nc2ccc(F)cn2)n1.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-6-methyl-4-(oxan-4-yloxy)pyridine-2-carboxamide?
The InChIKey is RVQLWYSZIMPZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c1-11-8-14(24-13-4-6-23-7-5-13)9-15(20-11)17(22)21-16-3-2-12(18)10-19-16/h2-3,8-10,13H,4-7H2,1H3,(H,19,21,22).
What are the key properties of N-(5-fluoro-2-pyridinyl)-6-methyl-4-(oxan-4-yloxy)pyridine-2-carboxamide?
N-(5-fluoro-2-pyridinyl)-6-methyl-4-(oxan-4-yloxy)pyridine-2-carboxamide has a molecular weight of 331.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyridinyl)-6-methyl-4-(oxan-4-yloxy)pyridine-2-carboxamide is sourced from PubChem (CID 118613043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).