4-(3-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyrimidine-2-carboxamide

C24H18ClN5O3 — CID 134146434

IUPAC4-(3-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyrimidine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)c3nccc(-c4cccc(Cl)c4)n3)cc2)ccn1
InChIInChI=1S/C24H18ClN5O3/c1-26-23(31)21-14-19(9-11-27-21)33-18-7-5-17(6-8-18)29-24(32)22-28-12-10-20(30-22)15-3-2-4-16(25)13-15/h2-14H,1H3,(H,26,31)(H,29,32)
InChIKeyAHOIPNZLXMJZTI-UHFFFAOYSA-N
MW459.89 g/mol
LogP4.60
Rot. Bonds6

About 4-(3-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyrimidine-2-carboxamide

4-(3-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyrimidine-2-carboxamide (PubChem CID 134146434) has the molecular formula C24H18ClN5O3 and a molecular weight of 459.89 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyrimidine-2-carboxamide
PubChem CID134146434
Molecular FormulaC24H18ClN5O3
Molecular Weight459.89 g/mol
Exact Mass459.11
IUPAC Name4-(3-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyrimidine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)c3nccc(-c4cccc(Cl)c4)n3)cc2)ccn1
InChIInChI=1S/C24H18ClN5O3/c1-26-23(31)21-14-19(9-11-27-21)33-18-7-5-17(6-8-18)29-24(32)22-28-12-10-20(30-22)15-3-2-4-16(25)13-15/h2-14H,1H3,(H,26,31)(H,29,32)
InChIKeyAHOIPNZLXMJZTI-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 4-(3-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyrimidine-2-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyrimidine-2-carboxamide (CID 134146434) is 4-(3-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyrimidine-2-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyrimidine-2-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyrimidine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(NC(=O)c3nccc(-c4cccc(Cl)c4)n3)cc2)ccn1.
What is the InChIKey of 4-(3-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyrimidine-2-carboxamide?
The InChIKey is AHOIPNZLXMJZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN5O3/c1-26-23(31)21-14-19(9-11-27-21)33-18-7-5-17(6-8-18)29-24(32)22-28-12-10-20(30-22)15-3-2-4-16(25)13-15/h2-14H,1H3,(H,26,31)(H,29,32).
What are the key properties of 4-(3-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyrimidine-2-carboxamide?
4-(3-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyrimidine-2-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 4-(3-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyrimidine-2-carboxamide is sourced from PubChem (CID 134146434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).