2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide

C20H17Cl2N3O — CID 24509475

IUPAC2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
SMILESCc1cc(Cl)c(CC(=O)NC(c2ccccc2)c2ccccn2)c(Cl)n1
InChIInChI=1S/C20H17Cl2N3O/c1-13-11-16(21)15(20(22)24-13)12-18(26)25-19(14-7-3-2-4-8-14)17-9-5-6-10-23-17/h2-11,19H,12H2,1H3,(H,25,26)
InChIKeyKZDXOGXAQGFCIP-UHFFFAOYSA-N
MW386.28 g/mol
LogP4.54
Rot. Bonds5

About 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide

2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide (PubChem CID 24509475) has the molecular formula C20H17Cl2N3O and a molecular weight of 386.28 g/mol. Its IUPAC name is 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
PubChem CID24509475
Molecular FormulaC20H17Cl2N3O
Molecular Weight386.28 g/mol
Exact Mass385.07
IUPAC Name2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
SMILESCc1cc(Cl)c(CC(=O)NC(c2ccccc2)c2ccccn2)c(Cl)n1
InChIInChI=1S/C20H17Cl2N3O/c1-13-11-16(21)15(20(22)24-13)12-18(26)25-19(14-7-3-2-4-8-14)17-9-5-6-10-23-17/h2-11,19H,12H2,1H3,(H,25,26)
InChIKeyKZDXOGXAQGFCIP-UHFFFAOYSA-N
XLogP4.54
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.28
LogP ≤ 54.54
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

2-naphthalen-2-yl-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 42999680
2-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 42907688
2-(2-methyl-1H-indol-3-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 46589587
3-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]butanamide
CID 36947465
2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 42919660
3-(3,5-dimethylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 134048419
2-(4-chloro-2-methylphenoxy)-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide
CID 25386860
3-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 43008393
2-(3,4-dichlorophenyl)-N-(1-pyridin-2-ylethyl)acetamide
CID 47097455
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide
CID 25408467
N-[(1R)-1-phenylethyl]-2-[[(R)-phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 32725839
1-(2-chlorophenyl)-3-[phenyl(pyridin-2-yl)methyl]urea
CID 51168657

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide?
The IUPAC name of 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide (CID 24509475) is 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide is Cc1cc(Cl)c(CC(=O)NC(c2ccccc2)c2ccccn2)c(Cl)n1.
What is the InChIKey of 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide?
The InChIKey is KZDXOGXAQGFCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O/c1-13-11-16(21)15(20(22)24-13)12-18(26)25-19(14-7-3-2-4-8-14)17-9-5-6-10-23-17/h2-11,19H,12H2,1H3,(H,25,26).
What are the key properties of 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide?
2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide has a molecular weight of 386.28 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide is sourced from PubChem (CID 24509475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).