3-fluoro-N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]pyridine-4-carboxamide

C18H20FN3O3 — CID 131905829

IUPAC3-fluoro-N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]pyridine-4-carboxamide
SMILESCOc1cc(NC(=O)c2ccncc2F)ccc1NC(=O)CC(C)C
InChIInChI=1S/C18H20FN3O3/c1-11(2)8-17(23)22-15-5-4-12(9-16(15)25-3)21-18(24)13-6-7-20-10-14(13)19/h4-7,9-11H,8H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyQYAZEXKYUDZHJB-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.47
Rot. Bonds6

About 3-fluoro-N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]pyridine-4-carboxamide

3-fluoro-N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]pyridine-4-carboxamide (PubChem CID 131905829) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 3-fluoro-N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]pyridine-4-carboxamide
PubChem CID131905829
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name3-fluoro-N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]pyridine-4-carboxamide
SMILESCOc1cc(NC(=O)c2ccncc2F)ccc1NC(=O)CC(C)C
InChIInChI=1S/C18H20FN3O3/c1-11(2)8-17(23)22-15-5-4-12(9-16(15)25-3)21-18(24)13-6-7-20-10-14(13)19/h4-7,9-11H,8H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyQYAZEXKYUDZHJB-UHFFFAOYSA-N
XLogP3.47
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-3-methoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 99842680
N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]-2,4-dimethylbenzamide
CID 131938422
N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]-2,5-dimethylfuran-3-carboxamide
CID 131890754
N-(4-methoxy-3-pyridinyl)-3-methylbutanamide
CID 176872995
5-fluoro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 33037269
N-(4-fluoro-3-methoxyphenyl)-3-hydroxypyridine-4-carboxamide
CID 114840031
N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 131900789
3-fluoro-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 115645942
N-(2,5-dimethoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 115645348
N-(4-fluoro-3-methoxyphenyl)-4-(methylamino)pyridine-3-carboxamide
CID 114840716
N-(5-bromo-2-methoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 64949895
3-fluoro-N-(2-methoxypyrimidin-5-yl)pyridine-4-carboxamide
CID 122301656

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]pyridine-4-carboxamide (CID 131905829) is 3-fluoro-N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]pyridine-4-carboxamide is COc1cc(NC(=O)c2ccncc2F)ccc1NC(=O)CC(C)C.
What is the InChIKey of 3-fluoro-N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]pyridine-4-carboxamide?
The InChIKey is QYAZEXKYUDZHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-11(2)8-17(23)22-15-5-4-12(9-16(15)25-3)21-18(24)13-6-7-20-10-14(13)19/h4-7,9-11H,8H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 3-fluoro-N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]pyridine-4-carboxamide?
3-fluoro-N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]pyridine-4-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 131905829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).