N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-6-methoxypyridine-3-carboxamide

C14H11FN6O2 — CID 51090541

IUPACN-[2-fluoro-5-(tetrazol-1-yl)phenyl]-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2cc(-n3cnnn3)ccc2F)cn1
InChIInChI=1S/C14H11FN6O2/c1-23-13-5-2-9(7-16-13)14(22)18-12-6-10(3-4-11(12)15)21-8-17-19-20-21/h2-8H,1H3,(H,18,22)
InChIKeyXRWRFCGHFBZAOP-UHFFFAOYSA-N
MW314.28 g/mol
LogP1.46
Rot. Bonds4

About N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-6-methoxypyridine-3-carboxamide

N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-6-methoxypyridine-3-carboxamide (PubChem CID 51090541) has the molecular formula C14H11FN6O2 and a molecular weight of 314.28 g/mol. Its IUPAC name is N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-6-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(tetrazol-1-yl)phenyl]-6-methoxypyridine-3-carboxamide
PubChem CID51090541
Molecular FormulaC14H11FN6O2
Molecular Weight314.28 g/mol
Exact Mass314.09
IUPAC NameN-[2-fluoro-5-(tetrazol-1-yl)phenyl]-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2cc(-n3cnnn3)ccc2F)cn1
InChIInChI=1S/C14H11FN6O2/c1-23-13-5-2-9(7-16-13)14(22)18-12-6-10(3-4-11(12)15)21-8-17-19-20-21/h2-8H,1H3,(H,18,22)
InChIKeyXRWRFCGHFBZAOP-UHFFFAOYSA-N
XLogP1.46
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55812153
3-(difluoromethoxy)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-methoxybenzamide
CID 51123666
6-methoxy-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 84581357
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 63038441
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-oxobutanamide
CID 54867267
2-(3,4-dimethoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide
CID 55811964
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide
CID 55813794
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide
CID 54862457
N-(4-bromo-2-fluorophenyl)-6-methoxypyridine-3-carboxamide
CID 134017875
3-chloro-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2,2-dimethylpropanamide
CID 63681109
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]quinoline-8-carboxamide
CID 51090537
N-[3-(tetrazol-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 134002005

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-6-methoxypyridine-3-carboxamide?
The IUPAC name of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-6-methoxypyridine-3-carboxamide (CID 51090541) is N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-6-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-6-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-6-methoxypyridine-3-carboxamide is COc1ccc(C(=O)Nc2cc(-n3cnnn3)ccc2F)cn1.
What is the InChIKey of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-6-methoxypyridine-3-carboxamide?
The InChIKey is XRWRFCGHFBZAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN6O2/c1-23-13-5-2-9(7-16-13)14(22)18-12-6-10(3-4-11(12)15)21-8-17-19-20-21/h2-8H,1H3,(H,18,22).
What are the key properties of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-6-methoxypyridine-3-carboxamide?
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-6-methoxypyridine-3-carboxamide has a molecular weight of 314.28 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-6-methoxypyridine-3-carboxamide is sourced from PubChem (CID 51090541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).