6-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide

C24H18ClN5O3 — CID 134145276

IUPAC6-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)ncn3)cc2)ccn1
InChIInChI=1S/C24H18ClN5O3/c1-26-23(31)21-12-19(10-11-27-21)33-18-8-6-17(7-9-18)30-24(32)22-13-20(28-14-29-22)15-2-4-16(25)5-3-15/h2-14H,1H3,(H,26,31)(H,30,32)
InChIKeyJJFIZWZQDYNMTR-UHFFFAOYSA-N
MW459.89 g/mol
LogP4.60
Rot. Bonds6

About 6-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide

6-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide (PubChem CID 134145276) has the molecular formula C24H18ClN5O3 and a molecular weight of 459.89 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide
PubChem CID134145276
Molecular FormulaC24H18ClN5O3
Molecular Weight459.89 g/mol
Exact Mass459.11
IUPAC Name6-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)ncn3)cc2)ccn1
InChIInChI=1S/C24H18ClN5O3/c1-26-23(31)21-12-19(10-11-27-21)33-18-8-6-17(7-9-18)30-24(32)22-13-20(28-14-29-22)15-2-4-16(25)5-3-15/h2-14H,1H3,(H,26,31)(H,30,32)
InChIKeyJJFIZWZQDYNMTR-UHFFFAOYSA-N
XLogP4.60
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.89
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide (CID 134145276) is 6-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide is CNC(=O)c1cc(Oc2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)ncn3)cc2)ccn1.
What is the InChIKey of 6-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide?
The InChIKey is JJFIZWZQDYNMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN5O3/c1-26-23(31)21-12-19(10-11-27-21)33-18-8-6-17(7-9-18)30-24(32)22-13-20(28-14-29-22)15-2-4-16(25)5-3-15/h2-14H,1H3,(H,26,31)(H,30,32).
What are the key properties of 6-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide?
6-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide has a molecular weight of 459.89 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 134145276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).