N-(2-chlorophenyl)-N-methylformamide;ethane;N-ethyl-6-(3-methylpiperidin-1-yl)pyridine-3-carboxamide

C24H35ClN4O2 — CID 143229736

IUPACN-(2-chlorophenyl)-N-methylformamide;ethane;N-ethyl-6-(3-methylpiperidin-1-yl)pyridine-3-carboxamide
SMILESCC.CCNC(=O)c1ccc(N2CCCC(C)C2)nc1.CN(C=O)c1ccccc1Cl
InChIInChI=1S/C14H21N3O.C8H8ClNO.C2H6/c1-3-15-14(18)12-6-7-13(16-9-12)17-8-4-5-11(2)10-17;1-10(6-11)8-5-3-2-4-7(8)9;1-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,15,18);2-6H,1H3;1-2H3
InChIKeySSAMZXQSDAMGCC-UHFFFAOYSA-N
MW447.02 g/mol
LogP5.03
Rot. Bonds5

About N-(2-chlorophenyl)-N-methylformamide;ethane;N-ethyl-6-(3-methylpiperidin-1-yl)pyridine-3-carboxamide

N-(2-chlorophenyl)-N-methylformamide;ethane;N-ethyl-6-(3-methylpiperidin-1-yl)pyridine-3-carboxamide (PubChem CID 143229736) has the molecular formula C24H35ClN4O2 and a molecular weight of 447.02 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N-methylformamide;ethane;N-ethyl-6-(3-methylpiperidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N-methylformamide;ethane;N-ethyl-6-(3-methylpiperidin-1-yl)pyridine-3-carboxamide
PubChem CID143229736
Molecular FormulaC24H35ClN4O2
Molecular Weight447.02 g/mol
Exact Mass446.24
IUPAC NameN-(2-chlorophenyl)-N-methylformamide;ethane;N-ethyl-6-(3-methylpiperidin-1-yl)pyridine-3-carboxamide
SMILESCC.CCNC(=O)c1ccc(N2CCCC(C)C2)nc1.CN(C=O)c1ccccc1Cl
InChIInChI=1S/C14H21N3O.C8H8ClNO.C2H6/c1-3-15-14(18)12-6-7-13(16-9-12)17-8-4-5-11(2)10-17;1-10(6-11)8-5-3-2-4-7(8)9;1-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,15,18);2-6H,1H3;1-2H3
InChIKeySSAMZXQSDAMGCC-UHFFFAOYSA-N
XLogP5.03
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.02
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[3-[3-(2-chloro-N-formylanilino)propyl]piperidin-1-yl]-N-methylpyridine-3-carboxamide
CID 143229411
6-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109161705
N-[(2-chlorophenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109257408
N-[2-(4-methoxyphenyl)ethyl]-6-(3-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109159052
N-ethyl-6-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 133314214
N-[2-(ethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119505612
N-ethyl-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
CID 95105098
N-cyclohexyl-N-methylformamide;N,N-dimethyl-4-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]benzamide
CID 143229412
1-[5-(prop-2-enylcarbamoyl)-2-pyridinyl]piperidine-3-carboxylic acid
CID 120964835
6-[(1S,5S)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N-ethylpyridine-3-carboxamide
CID 133121148
6-(3-methylpiperidin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109161701
N-[(2R)-2-(ethylamino)propyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 120652401

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N-methylformamide;ethane;N-ethyl-6-(3-methylpiperidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-N-methylformamide;ethane;N-ethyl-6-(3-methylpiperidin-1-yl)pyridine-3-carboxamide (CID 143229736) is N-(2-chlorophenyl)-N-methylformamide;ethane;N-ethyl-6-(3-methylpiperidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-N-methylformamide;ethane;N-ethyl-6-(3-methylpiperidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-N-methylformamide;ethane;N-ethyl-6-(3-methylpiperidin-1-yl)pyridine-3-carboxamide is CC.CCNC(=O)c1ccc(N2CCCC(C)C2)nc1.CN(C=O)c1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-N-methylformamide;ethane;N-ethyl-6-(3-methylpiperidin-1-yl)pyridine-3-carboxamide?
The InChIKey is SSAMZXQSDAMGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O.C8H8ClNO.C2H6/c1-3-15-14(18)12-6-7-13(16-9-12)17-8-4-5-11(2)10-17;1-10(6-11)8-5-3-2-4-7(8)9;1-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,15,18);2-6H,1H3;1-2H3.
What are the key properties of N-(2-chlorophenyl)-N-methylformamide;ethane;N-ethyl-6-(3-methylpiperidin-1-yl)pyridine-3-carboxamide?
N-(2-chlorophenyl)-N-methylformamide;ethane;N-ethyl-6-(3-methylpiperidin-1-yl)pyridine-3-carboxamide has a molecular weight of 447.02 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N-methylformamide;ethane;N-ethyl-6-(3-methylpiperidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 143229736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).