N-[C-ethenyl-N-(6-methoxy-2-methyl-3-pyridin-4-ylphenyl)carbonimidoyl]-4-hydroxy-4-methylpiperidine-1-carboxamide

C23H28N4O3 — CID 170141715

IUPACN-[C-ethenyl-N-(6-methoxy-2-methyl-3-pyridin-4-ylphenyl)carbonimidoyl]-4-hydroxy-4-methylpiperidine-1-carboxamide
SMILESC=C/C(=N\c1c(OC)ccc(-c2ccncc2)c1C)NC(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C23H28N4O3/c1-5-20(26-22(28)27-14-10-23(3,29)11-15-27)25-21-16(2)18(6-7-19(21)30-4)17-8-12-24-13-9-17/h5-9,12-13,29H,1,10-11,14-15H2,2-4H3,(H,25,26,28)
InChIKeyGPFDZLMIBJTHEN-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.84
Rot. Bonds4

About N-[C-ethenyl-N-(6-methoxy-2-methyl-3-pyridin-4-ylphenyl)carbonimidoyl]-4-hydroxy-4-methylpiperidine-1-carboxamide

N-[C-ethenyl-N-(6-methoxy-2-methyl-3-pyridin-4-ylphenyl)carbonimidoyl]-4-hydroxy-4-methylpiperidine-1-carboxamide (PubChem CID 170141715) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[C-ethenyl-N-(6-methoxy-2-methyl-3-pyridin-4-ylphenyl)carbonimidoyl]-4-hydroxy-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[C-ethenyl-N-(6-methoxy-2-methyl-3-pyridin-4-ylphenyl)carbonimidoyl]-4-hydroxy-4-methylpiperidine-1-carboxamide
PubChem CID170141715
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN-[C-ethenyl-N-(6-methoxy-2-methyl-3-pyridin-4-ylphenyl)carbonimidoyl]-4-hydroxy-4-methylpiperidine-1-carboxamide
SMILESC=C/C(=N\c1c(OC)ccc(-c2ccncc2)c1C)NC(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C23H28N4O3/c1-5-20(26-22(28)27-14-10-23(3,29)11-15-27)25-21-16(2)18(6-7-19(21)30-4)17-8-12-24-13-9-17/h5-9,12-13,29H,1,10-11,14-15H2,2-4H3,(H,25,26,28)
InChIKeyGPFDZLMIBJTHEN-UHFFFAOYSA-N
XLogP3.84
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[C-ethenyl-N-(6-methoxy-2-methyl-3-pyridin-4-ylphenyl)carbonimidoyl]-4-hydroxy-4-methylpiperidine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(4-hydroxy-4-methylpiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone
CID 86680849
N-(4-methoxy-7-pyridin-4-yl-3H-indol-2-yl)-2-oxa-7-azaspiro[3.4]octane-7-carboxamide
CID 159878969
(4-hydroxy-4-methylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 71851779
4-hydroxy-N-[4-methoxy-7-(propylamino)-1,3-benzothiazol-2-yl]-4-methylpiperidine-1-carboxamide
CID 59628488
(3,4-dimethoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406157
4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-methylpiperidine-1-carboxamide
CID 142524362
4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-methylpiperidine-1-carboxamide
CID 11618368
N-(2-methoxy-5-methylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 24731278
(4,4-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110738617
(2-amino-6-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81420206
[4-(4-methoxy-2,3-dimethylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 110803082
N-(3-chloro-4-methylphenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 80703460

Frequently Asked Questions

What is the IUPAC name of N-[C-ethenyl-N-(6-methoxy-2-methyl-3-pyridin-4-ylphenyl)carbonimidoyl]-4-hydroxy-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-[C-ethenyl-N-(6-methoxy-2-methyl-3-pyridin-4-ylphenyl)carbonimidoyl]-4-hydroxy-4-methylpiperidine-1-carboxamide (CID 170141715) is N-[C-ethenyl-N-(6-methoxy-2-methyl-3-pyridin-4-ylphenyl)carbonimidoyl]-4-hydroxy-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[C-ethenyl-N-(6-methoxy-2-methyl-3-pyridin-4-ylphenyl)carbonimidoyl]-4-hydroxy-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[C-ethenyl-N-(6-methoxy-2-methyl-3-pyridin-4-ylphenyl)carbonimidoyl]-4-hydroxy-4-methylpiperidine-1-carboxamide is C=C/C(=N\c1c(OC)ccc(-c2ccncc2)c1C)NC(=O)N1CCC(C)(O)CC1.
What is the InChIKey of N-[C-ethenyl-N-(6-methoxy-2-methyl-3-pyridin-4-ylphenyl)carbonimidoyl]-4-hydroxy-4-methylpiperidine-1-carboxamide?
The InChIKey is GPFDZLMIBJTHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-5-20(26-22(28)27-14-10-23(3,29)11-15-27)25-21-16(2)18(6-7-19(21)30-4)17-8-12-24-13-9-17/h5-9,12-13,29H,1,10-11,14-15H2,2-4H3,(H,25,26,28).
What are the key properties of N-[C-ethenyl-N-(6-methoxy-2-methyl-3-pyridin-4-ylphenyl)carbonimidoyl]-4-hydroxy-4-methylpiperidine-1-carboxamide?
N-[C-ethenyl-N-(6-methoxy-2-methyl-3-pyridin-4-ylphenyl)carbonimidoyl]-4-hydroxy-4-methylpiperidine-1-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[C-ethenyl-N-(6-methoxy-2-methyl-3-pyridin-4-ylphenyl)carbonimidoyl]-4-hydroxy-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 170141715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).