N'-[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]oxamide

C20H18ClF2N5O2 — CID 167982512

IUPACN'-[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]oxamide
SMILESCn1cc(NC(=O)C(=O)NC(Cc2ccc(Cl)cc2)c2ccccn2)c(C(F)F)n1
InChIInChI=1S/C20H18ClF2N5O2/c1-28-11-16(17(27-28)18(22)23)26-20(30)19(29)25-15(14-4-2-3-9-24-14)10-12-5-7-13(21)8-6-12/h2-9,11,15,18H,10H2,1H3,(H,25,29)(H,26,30)
InChIKeyXYVVXDUEBTWWIO-UHFFFAOYSA-N
MW433.85 g/mol
LogP3.44
Rot. Bonds6

About N'-[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]oxamide

N'-[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]oxamide (PubChem CID 167982512) has the molecular formula C20H18ClF2N5O2 and a molecular weight of 433.85 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]oxamide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]oxamide
PubChem CID167982512
Molecular FormulaC20H18ClF2N5O2
Molecular Weight433.85 g/mol
Exact Mass433.11
IUPAC NameN'-[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]oxamide
SMILESCn1cc(NC(=O)C(=O)NC(Cc2ccc(Cl)cc2)c2ccccn2)c(C(F)F)n1
InChIInChI=1S/C20H18ClF2N5O2/c1-28-11-16(17(27-28)18(22)23)26-20(30)19(29)25-15(14-4-2-3-9-24-14)10-12-5-7-13(21)8-6-12/h2-9,11,15,18H,10H2,1H3,(H,25,29)(H,26,30)
InChIKeyXYVVXDUEBTWWIO-UHFFFAOYSA-N
XLogP3.44
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.85
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-N-(1-methylpyrazol-4-yl)oxamide
CID 96539654
2-chloro-N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]acetamide;hydrochloride
CID 154856536
N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 96550885
2-(4-chlorophenyl)-1-pyridin-2-ylethanol
CID 60798834
N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-N'-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]oxamide
CID 75392016
N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-N'-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]oxamide
CID 97246873
4-[[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]carbamoyl]morpholine-2-carboxylic acid
CID 154740314
N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]butanamide
CID 56791179
4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-1-methylpyrazole-3-carboxamide
CID 122562645
1-[[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]amino]-4-propan-2-yloxybutan-2-ol
CID 166219934
4-methyl-N-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide
CID 96550906
N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-pyrazol-1-ylbutanamide
CID 96550907

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]oxamide?
The IUPAC name of N'-[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]oxamide (CID 167982512) is N'-[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]oxamide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]oxamide?
The canonical SMILES for N'-[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]oxamide is Cn1cc(NC(=O)C(=O)NC(Cc2ccc(Cl)cc2)c2ccccn2)c(C(F)F)n1.
What is the InChIKey of N'-[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]oxamide?
The InChIKey is XYVVXDUEBTWWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF2N5O2/c1-28-11-16(17(27-28)18(22)23)26-20(30)19(29)25-15(14-4-2-3-9-24-14)10-12-5-7-13(21)8-6-12/h2-9,11,15,18H,10H2,1H3,(H,25,29)(H,26,30).
What are the key properties of N'-[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]oxamide?
N'-[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]oxamide has a molecular weight of 433.85 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]oxamide is sourced from PubChem (CID 167982512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).