N-[2-(4-chlorophenyl)ethyl]-4-(3-methoxypropylamino)pyridine-2-carboxamide

C18H22ClN3O2 — CID 109206249

IUPACN-[2-(4-chlorophenyl)ethyl]-4-(3-methoxypropylamino)pyridine-2-carboxamide
SMILESCOCCCNc1ccnc(C(=O)NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H22ClN3O2/c1-24-12-2-9-20-16-8-11-21-17(13-16)18(23)22-10-7-14-3-5-15(19)6-4-14/h3-6,8,11,13H,2,7,9-10,12H2,1H3,(H,20,21)(H,22,23)
InChIKeyWKFPXWPLLCQOOF-UHFFFAOYSA-N
MW347.85 g/mol
LogP3.16
Rot. Bonds9

About N-[2-(4-chlorophenyl)ethyl]-4-(3-methoxypropylamino)pyridine-2-carboxamide

N-[2-(4-chlorophenyl)ethyl]-4-(3-methoxypropylamino)pyridine-2-carboxamide (PubChem CID 109206249) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-4-(3-methoxypropylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-4-(3-methoxypropylamino)pyridine-2-carboxamide
PubChem CID109206249
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-4-(3-methoxypropylamino)pyridine-2-carboxamide
SMILESCOCCCNc1ccnc(C(=O)NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H22ClN3O2/c1-24-12-2-9-20-16-8-11-21-17(13-16)18(23)22-10-7-14-3-5-15(19)6-4-14/h3-6,8,11,13H,2,7,9-10,12H2,1H3,(H,20,21)(H,22,23)
InChIKeyWKFPXWPLLCQOOF-UHFFFAOYSA-N
XLogP3.16
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206237
N-[2-(2,4-dichlorophenyl)ethyl]-4-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109205915
N-(5-chloro-2-methylphenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206310
N-(3,4-difluorophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206385
N-[2-(4-fluorophenyl)ethyl]-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109214099
N-[2-(4-chlorophenyl)ethyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
CID 109323895
N-[2-(4-chlorophenyl)ethyl]-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109365029
4-[2-(4-fluorophenyl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214179
4-(3-chloro-4-fluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214551
N-(2-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213524
4-[2-(3-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109214119
N-(4-bromophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206317

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-(3-methoxypropylamino)pyridine-2-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-(3-methoxypropylamino)pyridine-2-carboxamide (CID 109206249) is N-[2-(4-chlorophenyl)ethyl]-4-(3-methoxypropylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-4-(3-methoxypropylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-4-(3-methoxypropylamino)pyridine-2-carboxamide is COCCCNc1ccnc(C(=O)NCCc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-4-(3-methoxypropylamino)pyridine-2-carboxamide?
The InChIKey is WKFPXWPLLCQOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-24-12-2-9-20-16-8-11-21-17(13-16)18(23)22-10-7-14-3-5-15(19)6-4-14/h3-6,8,11,13H,2,7,9-10,12H2,1H3,(H,20,21)(H,22,23).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-4-(3-methoxypropylamino)pyridine-2-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-4-(3-methoxypropylamino)pyridine-2-carboxamide has a molecular weight of 347.85 g/mol, XLogP of 3.16, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-4-(3-methoxypropylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109206249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).