N-cyclohexyl-N-methylformamide;N,N-dimethyl-4-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]benzamide

C28H40N4O2 — CID 143229412

IUPACN-cyclohexyl-N-methylformamide;N,N-dimethyl-4-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]benzamide
SMILESCC1CCCN(c2ccc(-c3ccc(C(=O)N(C)C)cc3)cn2)C1.CN(C=O)C1CCCCC1
InChIInChI=1S/C20H25N3O.C8H15NO/c1-15-5-4-12-23(14-15)19-11-10-18(13-21-19)16-6-8-17(9-7-16)20(24)22(2)3;1-9(7-10)8-5-3-2-4-6-8/h6-11,13,15H,4-5,12,14H2,1-3H3;7-8H,2-6H2,1H3
InChIKeyHSEPYWAIIXPUPQ-UHFFFAOYSA-N
MW464.65 g/mol
LogP5.09
Rot. Bonds5

About N-cyclohexyl-N-methylformamide;N,N-dimethyl-4-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]benzamide

N-cyclohexyl-N-methylformamide;N,N-dimethyl-4-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]benzamide (PubChem CID 143229412) has the molecular formula C28H40N4O2 and a molecular weight of 464.65 g/mol. Its IUPAC name is N-cyclohexyl-N-methylformamide;N,N-dimethyl-4-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methylformamide;N,N-dimethyl-4-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]benzamide
PubChem CID143229412
Molecular FormulaC28H40N4O2
Molecular Weight464.65 g/mol
Exact Mass464.32
IUPAC NameN-cyclohexyl-N-methylformamide;N,N-dimethyl-4-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]benzamide
SMILESCC1CCCN(c2ccc(-c3ccc(C(=O)N(C)C)cc3)cn2)C1.CN(C=O)C1CCCCC1
InChIInChI=1S/C20H25N3O.C8H15NO/c1-15-5-4-12-23(14-15)19-11-10-18(13-21-19)16-6-8-17(9-7-16)20(24)22(2)3;1-9(7-10)8-5-3-2-4-6-8/h6-11,13,15H,4-5,12,14H2,1-3H3;7-8H,2-6H2,1H3
InChIKeyHSEPYWAIIXPUPQ-UHFFFAOYSA-N
XLogP5.09
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.65
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-N-ethylformamide;2-methoxy-5-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]pyridine
CID 143229409
3-[6-(azepan-1-yl)-3-pyridinyl]-N,N-dimethylbenzamide
CID 53150002
N-(2-chlorophenyl)-N-methylformamide;ethane;N-ethyl-6-(3-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 143229736
6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 115658002
N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]cyclobutanecarboxamide
CID 113015663
6-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109161705
N-cyclohexyl-N-methyl-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53035078
[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109160667
N,N-dimethyl-6-[3-(2,2,2-trifluoroethylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide
CID 133331661
6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 112627949
6-[(3R)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 95876992
ethyl 6-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]pyridine-3-carboxylate
CID 86777154

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methylformamide;N,N-dimethyl-4-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]benzamide?
The IUPAC name of N-cyclohexyl-N-methylformamide;N,N-dimethyl-4-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]benzamide (CID 143229412) is N-cyclohexyl-N-methylformamide;N,N-dimethyl-4-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]benzamide.
What is the SMILES notation for N-cyclohexyl-N-methylformamide;N,N-dimethyl-4-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]benzamide?
The canonical SMILES for N-cyclohexyl-N-methylformamide;N,N-dimethyl-4-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]benzamide is CC1CCCN(c2ccc(-c3ccc(C(=O)N(C)C)cc3)cn2)C1.CN(C=O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methylformamide;N,N-dimethyl-4-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]benzamide?
The InChIKey is HSEPYWAIIXPUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O.C8H15NO/c1-15-5-4-12-23(14-15)19-11-10-18(13-21-19)16-6-8-17(9-7-16)20(24)22(2)3;1-9(7-10)8-5-3-2-4-6-8/h6-11,13,15H,4-5,12,14H2,1-3H3;7-8H,2-6H2,1H3.
What are the key properties of N-cyclohexyl-N-methylformamide;N,N-dimethyl-4-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]benzamide?
N-cyclohexyl-N-methylformamide;N,N-dimethyl-4-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]benzamide has a molecular weight of 464.65 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methylformamide;N,N-dimethyl-4-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]benzamide is sourced from PubChem (CID 143229412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).