N-[2-(2-fluorophenoxy)pyrimidin-5-yl]pyridine-4-carboxamide

C16H11FN4O2 — CID 91968386

IUPACN-[2-(2-fluorophenoxy)pyrimidin-5-yl]pyridine-4-carboxamide
SMILESO=C(Nc1cnc(Oc2ccccc2F)nc1)c1ccncc1
InChIInChI=1S/C16H11FN4O2/c17-13-3-1-2-4-14(13)23-16-19-9-12(10-20-16)21-15(22)11-5-7-18-8-6-11/h1-10H,(H,21,22)
InChIKeyJTCDRHVCNQMWMN-UHFFFAOYSA-N
MW310.29 g/mol
LogP3.06
Rot. Bonds4

About N-[2-(2-fluorophenoxy)pyrimidin-5-yl]pyridine-4-carboxamide

N-[2-(2-fluorophenoxy)pyrimidin-5-yl]pyridine-4-carboxamide (PubChem CID 91968386) has the molecular formula C16H11FN4O2 and a molecular weight of 310.29 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)pyrimidin-5-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)pyrimidin-5-yl]pyridine-4-carboxamide
PubChem CID91968386
Molecular FormulaC16H11FN4O2
Molecular Weight310.29 g/mol
Exact Mass310.09
IUPAC NameN-[2-(2-fluorophenoxy)pyrimidin-5-yl]pyridine-4-carboxamide
SMILESO=C(Nc1cnc(Oc2ccccc2F)nc1)c1ccncc1
InChIInChI=1S/C16H11FN4O2/c17-13-3-1-2-4-14(13)23-16-19-9-12(10-20-16)21-15(22)11-5-7-18-8-6-11/h1-10H,(H,21,22)
InChIKeyJTCDRHVCNQMWMN-UHFFFAOYSA-N
XLogP3.06
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzamide
CID 122303112
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-methoxypyridine-3-carboxamide
CID 122303080
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3,4-dimethoxybenzamide
CID 91968353
1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-phenylurea
CID 71799859
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-iodobenzamide
CID 122303200
1-(3,5-difluorophenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea
CID 122302932
1-(4-tert-butylphenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea
CID 122303193
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-(tetrazol-1-yl)benzamide
CID 122303073
N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302199
1-(3,4-dimethoxyphenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea
CID 122303190
(E)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-(2-fluorophenyl)prop-2-enamide
CID 122303106
1-(2-chlorophenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea
CID 71799863

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]pyridine-4-carboxamide?
The IUPAC name of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]pyridine-4-carboxamide (CID 91968386) is N-[2-(2-fluorophenoxy)pyrimidin-5-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)pyrimidin-5-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)pyrimidin-5-yl]pyridine-4-carboxamide is O=C(Nc1cnc(Oc2ccccc2F)nc1)c1ccncc1.
What is the InChIKey of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]pyridine-4-carboxamide?
The InChIKey is JTCDRHVCNQMWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O2/c17-13-3-1-2-4-14(13)23-16-19-9-12(10-20-16)21-15(22)11-5-7-18-8-6-11/h1-10H,(H,21,22).
What are the key properties of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]pyridine-4-carboxamide?
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]pyridine-4-carboxamide has a molecular weight of 310.29 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)pyrimidin-5-yl]pyridine-4-carboxamide is sourced from PubChem (CID 91968386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).