2,6-dichloro-N-[4-(4-methoxyphenyl)butan-2-yl]pyridine-4-carboxamide

C17H18Cl2N2O2 — CID 139899503

IUPAC2,6-dichloro-N-[4-(4-methoxyphenyl)butan-2-yl]pyridine-4-carboxamide
SMILESCOc1ccc(CCC(C)NC(=O)c2cc(Cl)nc(Cl)c2)cc1
InChIInChI=1S/C17H18Cl2N2O2/c1-11(3-4-12-5-7-14(23-2)8-6-12)20-17(22)13-9-15(18)21-16(19)10-13/h5-11H,3-4H2,1-2H3,(H,20,22)
InChIKeyQFABCZIZYKKEGK-UHFFFAOYSA-N
MW353.25 g/mol
LogP4.15
Rot. Bonds6

About 2,6-dichloro-N-[4-(4-methoxyphenyl)butan-2-yl]pyridine-4-carboxamide

2,6-dichloro-N-[4-(4-methoxyphenyl)butan-2-yl]pyridine-4-carboxamide (PubChem CID 139899503) has the molecular formula C17H18Cl2N2O2 and a molecular weight of 353.25 g/mol. Its IUPAC name is 2,6-dichloro-N-[4-(4-methoxyphenyl)butan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[4-(4-methoxyphenyl)butan-2-yl]pyridine-4-carboxamide
PubChem CID139899503
Molecular FormulaC17H18Cl2N2O2
Molecular Weight353.25 g/mol
Exact Mass352.07
IUPAC Name2,6-dichloro-N-[4-(4-methoxyphenyl)butan-2-yl]pyridine-4-carboxamide
SMILESCOc1ccc(CCC(C)NC(=O)c2cc(Cl)nc(Cl)c2)cc1
InChIInChI=1S/C17H18Cl2N2O2/c1-11(3-4-12-5-7-14(23-2)8-6-12)20-17(22)13-9-15(18)21-16(19)10-13/h5-11H,3-4H2,1-2H3,(H,20,22)
InChIKeyQFABCZIZYKKEGK-UHFFFAOYSA-N
XLogP4.15
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833
5-[4-(4-methoxyphenyl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid
CID 120684984
3-[(2,6-dichloropyridine-4-carbonyl)amino]butanoic acid
CID 103602717
N-[4-(4-methoxyphenyl)butan-2-yl]-3-(methylsulfamoyl)benzamide
CID 86853194
ethyl 2-[4-(4-methoxyphenyl)butan-2-ylamino]-2-oxoacetate
CID 54351907
2,6-dichloro-N-pent-4-yn-2-ylpyridine-4-carboxamide
CID 115661799
2-amino-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide
CID 119288095
2-chloro-6-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 84575899
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2,6-dichloropyridine-4-carboxylate
CID 2358005
N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 97314890
(2S)-N-[(3,4-dichlorophenyl)methyl]-4-(4-methoxyphenyl)butan-2-amine
CID 784034
2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 61150801

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[4-(4-methoxyphenyl)butan-2-yl]pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-[4-(4-methoxyphenyl)butan-2-yl]pyridine-4-carboxamide (CID 139899503) is 2,6-dichloro-N-[4-(4-methoxyphenyl)butan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[4-(4-methoxyphenyl)butan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[4-(4-methoxyphenyl)butan-2-yl]pyridine-4-carboxamide is COc1ccc(CCC(C)NC(=O)c2cc(Cl)nc(Cl)c2)cc1.
What is the InChIKey of 2,6-dichloro-N-[4-(4-methoxyphenyl)butan-2-yl]pyridine-4-carboxamide?
The InChIKey is QFABCZIZYKKEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2/c1-11(3-4-12-5-7-14(23-2)8-6-12)20-17(22)13-9-15(18)21-16(19)10-13/h5-11H,3-4H2,1-2H3,(H,20,22).
What are the key properties of 2,6-dichloro-N-[4-(4-methoxyphenyl)butan-2-yl]pyridine-4-carboxamide?
2,6-dichloro-N-[4-(4-methoxyphenyl)butan-2-yl]pyridine-4-carboxamide has a molecular weight of 353.25 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[4-(4-methoxyphenyl)butan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 139899503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).