4-[[3-(5-cyclopropylpyrimidin-2-yl)oxyphenyl]methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide

C27H29N5O3 — CID 66885631

IUPAC4-[[3-(5-cyclopropylpyrimidin-2-yl)oxyphenyl]methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(=Cc3cccc(Oc4ncc(C5CC5)cn4)c3)C(C)C2)cn1
InChIInChI=1S/C27H29N5O3/c1-18-17-32(27(33)31-23-8-9-25(34-2)28-16-23)11-10-21(18)12-19-4-3-5-24(13-19)35-26-29-14-22(15-30-26)20-6-7-20/h3-5,8-9,12-16,18,20H,6-7,10-11,17H2,1-2H3,(H,31,33)
InChIKeyNLXYOJUKRWYFRA-UHFFFAOYSA-N
MW471.56 g/mol
LogP5.51
Rot. Bonds6

About 4-[[3-(5-cyclopropylpyrimidin-2-yl)oxyphenyl]methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide

4-[[3-(5-cyclopropylpyrimidin-2-yl)oxyphenyl]methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide (PubChem CID 66885631) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is 4-[[3-(5-cyclopropylpyrimidin-2-yl)oxyphenyl]methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[3-(5-cyclopropylpyrimidin-2-yl)oxyphenyl]methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide
PubChem CID66885631
Molecular FormulaC27H29N5O3
Molecular Weight471.56 g/mol
Exact Mass471.23
IUPAC Name4-[[3-(5-cyclopropylpyrimidin-2-yl)oxyphenyl]methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(=Cc3cccc(Oc4ncc(C5CC5)cn4)c3)C(C)C2)cn1
InChIInChI=1S/C27H29N5O3/c1-18-17-32(27(33)31-23-8-9-25(34-2)28-16-23)11-10-21(18)12-19-4-3-5-24(13-19)35-26-29-14-22(15-30-26)20-6-7-20/h3-5,8-9,12-16,18,20H,6-7,10-11,17H2,1-2H3,(H,31,33)
InChIKeyNLXYOJUKRWYFRA-UHFFFAOYSA-N
XLogP5.51
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.56
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[3-(5-cyclopropylpyrimidin-2-yl)oxyphenyl]methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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]-3-methyl-N-(5-methyl-3-pyridinyl)piperidine-1-carboxamide
CID 66884842
(4E)-N-(6-cyano-3-pyridinyl)-4-[[3-[(5-cyclopropyl-2-pyridinyl)oxy]phenyl]methylidene]-3-methylpiperidine-1-carboxamide
CID 66885420
4-[[3-(5-chloropyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
CID 66883931
4-[(3,4-difluorophenyl)methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide
CID 66884318
4-[[3-[(5-cyclopropyl-2-pyridinyl)oxy]phenyl]methylidene]-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylpiperidine-1-carboxamide
CID 66884616
4-[[3-[(5-bromo-2-pyridinyl)oxy]phenyl]methylidene]-N-(5-methoxypyrazin-2-yl)-3-methylpiperidine-1-carboxamide
CID 66884258
3-methyl-N-(5-methyl-3-pyridinyl)-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 66885163
4-[[3-(5-chloropyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide
CID 66885490
N-(6-cyano-3-pyridinyl)-3-methyl-4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 66885242
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

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(5-cyclopropylpyrimidin-2-yl)oxyphenyl]methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide?
The IUPAC name of 4-[[3-(5-cyclopropylpyrimidin-2-yl)oxyphenyl]methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide (CID 66885631) is 4-[[3-(5-cyclopropylpyrimidin-2-yl)oxyphenyl]methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[3-(5-cyclopropylpyrimidin-2-yl)oxyphenyl]methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[3-(5-cyclopropylpyrimidin-2-yl)oxyphenyl]methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide is COc1ccc(NC(=O)N2CCC(=Cc3cccc(Oc4ncc(C5CC5)cn4)c3)C(C)C2)cn1.
What is the InChIKey of 4-[[3-(5-cyclopropylpyrimidin-2-yl)oxyphenyl]methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide?
The InChIKey is NLXYOJUKRWYFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3/c1-18-17-32(27(33)31-23-8-9-25(34-2)28-16-23)11-10-21(18)12-19-4-3-5-24(13-19)35-26-29-14-22(15-30-26)20-6-7-20/h3-5,8-9,12-16,18,20H,6-7,10-11,17H2,1-2H3,(H,31,33).
What are the key properties of 4-[[3-(5-cyclopropylpyrimidin-2-yl)oxyphenyl]methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide?
4-[[3-(5-cyclopropylpyrimidin-2-yl)oxyphenyl]methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide has a molecular weight of 471.56 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(5-cyclopropylpyrimidin-2-yl)oxyphenyl]methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 66885631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).