N-cyclohexyl-N-ethylformamide;2-methoxy-5-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]pyridine

C26H38N4O2 — CID 143229409

IUPACN-cyclohexyl-N-ethylformamide;2-methoxy-5-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]pyridine
SMILESCCN(C=O)C1CCCCC1.COc1ccc(-c2ccc(N3CCCC(C)C3)nc2)cn1
InChIInChI=1S/C17H21N3O.C9H17NO/c1-13-4-3-9-20(12-13)16-7-5-14(10-18-16)15-6-8-17(21-2)19-11-15;1-2-10(8-11)9-6-4-3-5-7-9/h5-8,10-11,13H,3-4,9,12H2,1-2H3;8-9H,2-7H2,1H3
InChIKeyPQGOCLFLAAZYFN-UHFFFAOYSA-N
MW438.62 g/mol
LogP5.19
Rot. Bonds6

About N-cyclohexyl-N-ethylformamide;2-methoxy-5-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]pyridine

N-cyclohexyl-N-ethylformamide;2-methoxy-5-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]pyridine (PubChem CID 143229409) has the molecular formula C26H38N4O2 and a molecular weight of 438.62 g/mol. Its IUPAC name is N-cyclohexyl-N-ethylformamide;2-methoxy-5-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]pyridine.

Molecular Properties

Compound NameN-cyclohexyl-N-ethylformamide;2-methoxy-5-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]pyridine
PubChem CID143229409
Molecular FormulaC26H38N4O2
Molecular Weight438.62 g/mol
Exact Mass438.30
IUPAC NameN-cyclohexyl-N-ethylformamide;2-methoxy-5-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]pyridine
SMILESCCN(C=O)C1CCCCC1.COc1ccc(-c2ccc(N3CCCC(C)C3)nc2)cn1
InChIInChI=1S/C17H21N3O.C9H17NO/c1-13-4-3-9-20(12-13)16-7-5-14(10-18-16)15-6-8-17(21-2)19-11-15;1-2-10(8-11)9-6-4-3-5-7-9/h5-8,10-11,13H,3-4,9,12H2,1-2H3;8-9H,2-7H2,1H3
InChIKeyPQGOCLFLAAZYFN-UHFFFAOYSA-N
XLogP5.19
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.62
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-N-methylformamide;N,N-dimethyl-4-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]benzamide
CID 143229412
N-cyclohexyl-N-ethylformamide;ethane;methyl N-[4-(3-methylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]carbamate
CID 143229615
5-chloro-3-fluoro-2-(3-methylpiperidin-1-yl)pyridine;N-ethyl-N-(4-hydroxycyclohexyl)formamide
CID 143229493
N-[6-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-pyridinyl]acetamide
CID 143229638
ethyl N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]carbamate
CID 113015658
2-(3-bromopiperidin-1-yl)-5-methoxypyridine
CID 106505131
2-methyl-6-(3-methylpiperidin-1-yl)pyridine-3-carbaldehyde
CID 168665762
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133297091
5-[(4-ethylpiperazin-1-yl)methyl]-3-[6-[(3R)-3-methylpiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 95100346
N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]methanesulfonamide
CID 113015667
N-[[6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 55055089
N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]cyclobutanecarboxamide
CID 113015663

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethylformamide;2-methoxy-5-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]pyridine?
The IUPAC name of N-cyclohexyl-N-ethylformamide;2-methoxy-5-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]pyridine (CID 143229409) is N-cyclohexyl-N-ethylformamide;2-methoxy-5-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]pyridine.
What is the SMILES notation for N-cyclohexyl-N-ethylformamide;2-methoxy-5-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]pyridine?
The canonical SMILES for N-cyclohexyl-N-ethylformamide;2-methoxy-5-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]pyridine is CCN(C=O)C1CCCCC1.COc1ccc(-c2ccc(N3CCCC(C)C3)nc2)cn1.
What is the InChIKey of N-cyclohexyl-N-ethylformamide;2-methoxy-5-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]pyridine?
The InChIKey is PQGOCLFLAAZYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O.C9H17NO/c1-13-4-3-9-20(12-13)16-7-5-14(10-18-16)15-6-8-17(21-2)19-11-15;1-2-10(8-11)9-6-4-3-5-7-9/h5-8,10-11,13H,3-4,9,12H2,1-2H3;8-9H,2-7H2,1H3.
What are the key properties of N-cyclohexyl-N-ethylformamide;2-methoxy-5-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]pyridine?
N-cyclohexyl-N-ethylformamide;2-methoxy-5-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]pyridine has a molecular weight of 438.62 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethylformamide;2-methoxy-5-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]pyridine is sourced from PubChem (CID 143229409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).