6-[3-[3-(2-chloro-N-formylanilino)propyl]piperidin-1-yl]-N-methylpyridine-3-carboxamide

C22H27ClN4O2 — CID 143229411

IUPAC6-[3-[3-(2-chloro-N-formylanilino)propyl]piperidin-1-yl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(N2CCCC(CCCN(C=O)c3ccccc3Cl)C2)nc1
InChIInChI=1S/C22H27ClN4O2/c1-24-22(29)18-10-11-21(25-14-18)26-12-4-6-17(15-26)7-5-13-27(16-28)20-9-3-2-8-19(20)23/h2-3,8-11,14,16-17H,4-7,12-13,15H2,1H3,(H,24,29)
InChIKeyOLEVCTDAFVRIFT-UHFFFAOYSA-N
MW414.94 g/mol
LogP3.75
Rot. Bonds8

About 6-[3-[3-(2-chloro-N-formylanilino)propyl]piperidin-1-yl]-N-methylpyridine-3-carboxamide

6-[3-[3-(2-chloro-N-formylanilino)propyl]piperidin-1-yl]-N-methylpyridine-3-carboxamide (PubChem CID 143229411) has the molecular formula C22H27ClN4O2 and a molecular weight of 414.94 g/mol. Its IUPAC name is 6-[3-[3-(2-chloro-N-formylanilino)propyl]piperidin-1-yl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-[3-(2-chloro-N-formylanilino)propyl]piperidin-1-yl]-N-methylpyridine-3-carboxamide
PubChem CID143229411
Molecular FormulaC22H27ClN4O2
Molecular Weight414.94 g/mol
Exact Mass414.18
IUPAC Name6-[3-[3-(2-chloro-N-formylanilino)propyl]piperidin-1-yl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(N2CCCC(CCCN(C=O)c3ccccc3Cl)C2)nc1
InChIInChI=1S/C22H27ClN4O2/c1-24-22(29)18-10-11-21(25-14-18)26-12-4-6-17(15-26)7-5-13-27(16-28)20-9-3-2-8-19(20)23/h2-3,8-11,14,16-17H,4-7,12-13,15H2,1H3,(H,24,29)
InChIKeyOLEVCTDAFVRIFT-UHFFFAOYSA-N
XLogP3.75
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 53.75
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

N-(2-chlorophenyl)-N-[2-[1-(3-chloro-2-pyridinyl)piperidin-3-yl]ethyl]formamide
CID 143229668
N-(2-chlorophenyl)-N-methylformamide;ethane;N-ethyl-6-(3-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 143229736
6-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 107227673
6-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 78999071
N-[6-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-pyridinyl]acetamide
CID 143229638
1-[5-(prop-2-enylcarbamoyl)-2-pyridinyl]piperidine-3-carboxylic acid
CID 120964835
6-[3-(acetamidomethyl)piperidin-1-yl]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide
CID 45214399
2-[(3S)-1-[5-(1-adamantylcarbamoyl)-2-pyridinyl]piperidin-3-yl]acetic acid
CID 67245663
2-[1-[5-(ethylaminomethyl)-2-pyridinyl]piperidin-3-yl]ethanol
CID 107228184
N-cyclopropyl-6-[3-[(3-ethylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 44526663
6-(azepan-1-yl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide
CID 37298499
ethyl 6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxylate
CID 115657940

Frequently Asked Questions

What is the IUPAC name of 6-[3-[3-(2-chloro-N-formylanilino)propyl]piperidin-1-yl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-[3-[3-(2-chloro-N-formylanilino)propyl]piperidin-1-yl]-N-methylpyridine-3-carboxamide (CID 143229411) is 6-[3-[3-(2-chloro-N-formylanilino)propyl]piperidin-1-yl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[3-[3-(2-chloro-N-formylanilino)propyl]piperidin-1-yl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[3-[3-(2-chloro-N-formylanilino)propyl]piperidin-1-yl]-N-methylpyridine-3-carboxamide is CNC(=O)c1ccc(N2CCCC(CCCN(C=O)c3ccccc3Cl)C2)nc1.
What is the InChIKey of 6-[3-[3-(2-chloro-N-formylanilino)propyl]piperidin-1-yl]-N-methylpyridine-3-carboxamide?
The InChIKey is OLEVCTDAFVRIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O2/c1-24-22(29)18-10-11-21(25-14-18)26-12-4-6-17(15-26)7-5-13-27(16-28)20-9-3-2-8-19(20)23/h2-3,8-11,14,16-17H,4-7,12-13,15H2,1H3,(H,24,29).
What are the key properties of 6-[3-[3-(2-chloro-N-formylanilino)propyl]piperidin-1-yl]-N-methylpyridine-3-carboxamide?
6-[3-[3-(2-chloro-N-formylanilino)propyl]piperidin-1-yl]-N-methylpyridine-3-carboxamide has a molecular weight of 414.94 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[3-(2-chloro-N-formylanilino)propyl]piperidin-1-yl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 143229411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).