N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-fluoropyridine-2-carboxamide

C17H10FN5O2 — CID 58337537

IUPACN-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-fluoropyridine-2-carboxamide
SMILESN#Cc1cc(NC(=O)c2cc(F)ccn2)cc(Oc2cncnc2)c1
InChIInChI=1S/C17H10FN5O2/c18-12-1-2-22-16(5-12)17(24)23-13-3-11(7-19)4-14(6-13)25-15-8-20-10-21-9-15/h1-6,8-10H,(H,23,24)
InChIKeyHWGCVBUWAWWADS-UHFFFAOYSA-N
MW335.30 g/mol
LogP2.93
Rot. Bonds4

About N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-fluoropyridine-2-carboxamide

N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-fluoropyridine-2-carboxamide (PubChem CID 58337537) has the molecular formula C17H10FN5O2 and a molecular weight of 335.30 g/mol. Its IUPAC name is N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-fluoropyridine-2-carboxamide
PubChem CID58337537
Molecular FormulaC17H10FN5O2
Molecular Weight335.30 g/mol
Exact Mass335.08
IUPAC NameN-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-fluoropyridine-2-carboxamide
SMILESN#Cc1cc(NC(=O)c2cc(F)ccn2)cc(Oc2cncnc2)c1
InChIInChI=1S/C17H10FN5O2/c18-12-1-2-22-16(5-12)17(24)23-13-3-11(7-19)4-14(6-13)25-15-8-20-10-21-9-15/h1-6,8-10H,(H,23,24)
InChIKeyHWGCVBUWAWWADS-UHFFFAOYSA-N
XLogP2.93
TPSA100.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-fluoropyridine-2-carboxamide?
The IUPAC name of N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-fluoropyridine-2-carboxamide (CID 58337537) is N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-fluoropyridine-2-carboxamide?
The canonical SMILES for N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-fluoropyridine-2-carboxamide is N#Cc1cc(NC(=O)c2cc(F)ccn2)cc(Oc2cncnc2)c1.
What is the InChIKey of N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-fluoropyridine-2-carboxamide?
The InChIKey is HWGCVBUWAWWADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FN5O2/c18-12-1-2-22-16(5-12)17(24)23-13-3-11(7-19)4-14(6-13)25-15-8-20-10-21-9-15/h1-6,8-10H,(H,23,24).
What are the key properties of N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-fluoropyridine-2-carboxamide?
N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-fluoropyridine-2-carboxamide has a molecular weight of 335.30 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-fluoropyridine-2-carboxamide is sourced from PubChem (CID 58337537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).