4-[[3-(5-chloropyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide

C23H22ClN5O2 — CID 66883931

IUPAC4-[[3-(5-chloropyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
SMILESCC1CN(C(=O)Nc2cccnc2)CCC1=Cc1cccc(Oc2ncc(Cl)cn2)c1
InChIInChI=1S/C23H22ClN5O2/c1-16-15-29(23(30)28-20-5-3-8-25-14-20)9-7-18(16)10-17-4-2-6-21(11-17)31-22-26-12-19(24)13-27-22/h2-6,8,10-14,16H,7,9,15H2,1H3,(H,28,30)
InChIKeyUZWXTNQBLNJOJY-UHFFFAOYSA-N
MW435.92 g/mol
LogP5.27
Rot. Bonds4

About 4-[[3-(5-chloropyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide

4-[[3-(5-chloropyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide (PubChem CID 66883931) has the molecular formula C23H22ClN5O2 and a molecular weight of 435.92 g/mol. Its IUPAC name is 4-[[3-(5-chloropyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[3-(5-chloropyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
PubChem CID66883931
Molecular FormulaC23H22ClN5O2
Molecular Weight435.92 g/mol
Exact Mass435.15
IUPAC Name4-[[3-(5-chloropyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
SMILESCC1CN(C(=O)Nc2cccnc2)CCC1=Cc1cccc(Oc2ncc(Cl)cn2)c1
InChIInChI=1S/C23H22ClN5O2/c1-16-15-29(23(30)28-20-5-3-8-25-14-20)9-7-18(16)10-17-4-2-6-21(11-17)31-22-26-12-19(24)13-27-22/h2-6,8,10-14,16H,7,9,15H2,1H3,(H,28,30)
InChIKeyUZWXTNQBLNJOJY-UHFFFAOYSA-N
XLogP5.27
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.92
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-(5-chloropyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide
CID 66885490
4-[[3-(5-chloropyrimidin-2-yl)oxyphenyl]methylidene]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methylpiperidine-1-carboxamide
CID 66885660
4-[[3-(5-chloropyrimidin-2-yl)oxyphenyl]methylidene]-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylpiperidine-1-carboxamide
CID 66885362
4-[[3-(5-cyclopropylpyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-(5-methyl-3-pyridinyl)piperidine-1-carboxamide
CID 66884842
4-[(3-chloro-4-fluorophenyl)methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
CID 66884636
4-[[3-[(5-chloro-2-pyridinyl)oxy]phenyl]methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide
CID 66885355
4-[[3-(5-cyclopropylpyrimidin-2-yl)oxyphenyl]methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide
CID 66885631
4-[[3-[2-(3-fluorophenyl)ethoxy]phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
CID 66886122
(4E)-4-[[3-(cyclohex-3-en-1-ylmethoxy)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
CID 67229064
4-[[3-(1,1-difluoroethyl)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
CID 66884378
3-methyl-N-(5-methyl-3-pyridinyl)-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 66885163
N-(6-cyano-3-pyridinyl)-3-methyl-4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 66885242

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(5-chloropyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[[3-(5-chloropyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide (CID 66883931) is 4-[[3-(5-chloropyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[3-(5-chloropyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[3-(5-chloropyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide is CC1CN(C(=O)Nc2cccnc2)CCC1=Cc1cccc(Oc2ncc(Cl)cn2)c1.
What is the InChIKey of 4-[[3-(5-chloropyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide?
The InChIKey is UZWXTNQBLNJOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O2/c1-16-15-29(23(30)28-20-5-3-8-25-14-20)9-7-18(16)10-17-4-2-6-21(11-17)31-22-26-12-19(24)13-27-22/h2-6,8,10-14,16H,7,9,15H2,1H3,(H,28,30).
What are the key properties of 4-[[3-(5-chloropyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide?
4-[[3-(5-chloropyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide has a molecular weight of 435.92 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(5-chloropyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 66883931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).