N-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide

C18H15FN4O2 — CID 136543662

IUPACN-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide
SMILESO=C(NC1COc2ccc(F)cc2C1)c1ccnc(-n2ccnc2)c1
InChIInChI=1S/C18H15FN4O2/c19-14-1-2-16-13(7-14)8-15(10-25-16)22-18(24)12-3-4-21-17(9-12)23-6-5-20-11-23/h1-7,9,11,15H,8,10H2,(H,22,24)
InChIKeyISVQNTXUZLJKKA-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.14
Rot. Bonds3

About N-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide

N-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide (PubChem CID 136543662) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is N-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide
PubChem CID136543662
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC NameN-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide
SMILESO=C(NC1COc2ccc(F)cc2C1)c1ccnc(-n2ccnc2)c1
InChIInChI=1S/C18H15FN4O2/c19-14-1-2-16-13(7-14)8-15(10-25-16)22-18(24)12-3-4-21-17(9-12)23-6-5-20-11-23/h1-7,9,11,15H,8,10H2,(H,22,24)
InChIKeyISVQNTXUZLJKKA-UHFFFAOYSA-N
XLogP2.14
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide?
The IUPAC name of N-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide (CID 136543662) is N-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide.
What is the SMILES notation for N-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide?
The canonical SMILES for N-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide is O=C(NC1COc2ccc(F)cc2C1)c1ccnc(-n2ccnc2)c1.
What is the InChIKey of N-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide?
The InChIKey is ISVQNTXUZLJKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c19-14-1-2-16-13(7-14)8-15(10-25-16)22-18(24)12-3-4-21-17(9-12)23-6-5-20-11-23/h1-7,9,11,15H,8,10H2,(H,22,24).
What are the key properties of N-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide?
N-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide has a molecular weight of 338.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 136543662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).