4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide

C16H9ClF2N4O2 — CID 58337561

IUPAC4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc(F)c(F)c(Oc2cncnc2)c1)c1cc(Cl)ccn1
InChIInChI=1S/C16H9ClF2N4O2/c17-9-1-2-22-13(3-9)16(24)23-10-4-12(18)15(19)14(5-10)25-11-6-20-8-21-7-11/h1-8H,(H,23,24)
InChIKeyTYLJIDMFWJPXEP-UHFFFAOYSA-N
MW362.72 g/mol
LogP3.85
Rot. Bonds4

About 4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide

4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide (PubChem CID 58337561) has the molecular formula C16H9ClF2N4O2 and a molecular weight of 362.72 g/mol. Its IUPAC name is 4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide
PubChem CID58337561
Molecular FormulaC16H9ClF2N4O2
Molecular Weight362.72 g/mol
Exact Mass362.04
IUPAC Name4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc(F)c(F)c(Oc2cncnc2)c1)c1cc(Cl)ccn1
InChIInChI=1S/C16H9ClF2N4O2/c17-9-1-2-22-13(3-9)16(24)23-10-4-12(18)15(19)14(5-10)25-11-6-20-8-21-7-11/h1-8H,(H,23,24)
InChIKeyTYLJIDMFWJPXEP-UHFFFAOYSA-N
XLogP3.85
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.72
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide (CID 58337561) is 4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide is O=C(Nc1cc(F)c(F)c(Oc2cncnc2)c1)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide?
The InChIKey is TYLJIDMFWJPXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF2N4O2/c17-9-1-2-22-13(3-9)16(24)23-10-4-12(18)15(19)14(5-10)25-11-6-20-8-21-7-11/h1-8H,(H,23,24).
What are the key properties of 4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide?
4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide has a molecular weight of 362.72 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 58337561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).