5-[(5-cyano-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide

C19H13FN4O2 — CID 122539654

IUPAC5-[(5-cyano-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide
SMILESN#Cc1cncc(COc2cnc(C(N)=O)cc2-c2ccc(F)cc2)c1
InChIInChI=1S/C19H13FN4O2/c20-15-3-1-14(2-4-15)16-6-17(19(22)25)24-10-18(16)26-11-13-5-12(7-21)8-23-9-13/h1-6,8-10H,11H2,(H2,22,25)
InChIKeyPTTUSNYNGXKAGU-UHFFFAOYSA-N
MW348.34 g/mol
LogP2.83
Rot. Bonds5

About 5-[(5-cyano-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide

5-[(5-cyano-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide (PubChem CID 122539654) has the molecular formula C19H13FN4O2 and a molecular weight of 348.34 g/mol. Its IUPAC name is 5-[(5-cyano-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(5-cyano-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide
PubChem CID122539654
Molecular FormulaC19H13FN4O2
Molecular Weight348.34 g/mol
Exact Mass348.10
IUPAC Name5-[(5-cyano-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide
SMILESN#Cc1cncc(COc2cnc(C(N)=O)cc2-c2ccc(F)cc2)c1
InChIInChI=1S/C19H13FN4O2/c20-15-3-1-14(2-4-15)16-6-17(19(22)25)24-10-18(16)26-11-13-5-12(7-21)8-23-9-13/h1-6,8-10H,11H2,(H2,22,25)
InChIKeyPTTUSNYNGXKAGU-UHFFFAOYSA-N
XLogP2.83
TPSA101.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-((Phenethylamino)methyl)phenoxy)picolinamide
CID 44434951
5-Ethoxy-Pyridine-2-Carboxylic Acid [3-((R)-2-Amino-5,5-Difluoro-4-Methyl-5,6-Dihydro-4h-[1,3]oxazin-4-Yl)-4-Fluoro-Phenyl]-Amide
CID 71305034
2-(3-Fluoro-5-cyanophenyl)-4-(pyridin-2-yl)-1,3-oxazole
CID 11402852
3-Fluoro-5-(5-(2-pyridyl)-2-furyl)-benzonitrile
CID 21942492
CID 53240812
CID 53240812
CID 53241933
CID 53241933
4-(4-Fluorophenyl)-5-[(1-methylpyrazol-3-yl)methoxy]pyridine-2-carboxamide
CID 122539788
N-[3-[(3S,4aR,7aS)-2-amino-3,4a-difluoro-3-methyl-5,7-dihydro-4H-furo[3,4-b]pyridin-7a-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 126591378
5-(3-fluorophenoxy)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-2-carboxamide
CID 23728693
5-ethoxy-N-(4-piperidin-3-ylphenyl)pyridine-2-carboxamide
CID 53252039
N-[3-[(4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyridine-2-carboxamide
CID 66558602
4-({[6-amino-3,5-dicyano-4-(4-fluorophenyl)pyridin-2-yl]oxy}methyl)-N-methylpyridine-2-carboxamide
CID 66631060

Frequently Asked Questions

What is the IUPAC name of 5-[(5-cyano-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 5-[(5-cyano-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide (CID 122539654) is 5-[(5-cyano-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[(5-cyano-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[(5-cyano-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide is N#Cc1cncc(COc2cnc(C(N)=O)cc2-c2ccc(F)cc2)c1.
What is the InChIKey of 5-[(5-cyano-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide?
The InChIKey is PTTUSNYNGXKAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O2/c20-15-3-1-14(2-4-15)16-6-17(19(22)25)24-10-18(16)26-11-13-5-12(7-21)8-23-9-13/h1-6,8-10H,11H2,(H2,22,25).
What are the key properties of 5-[(5-cyano-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide?
5-[(5-cyano-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide has a molecular weight of 348.34 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-cyano-3-pyridinyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 122539654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).