3-cyclopentyl-2-(3,4-dichlorophenyl)-2-methyl-N-pyridin-2-ylpropanamide

C20H22Cl2N2O — CID 142018497

IUPAC3-cyclopentyl-2-(3,4-dichlorophenyl)-2-methyl-N-pyridin-2-ylpropanamide
SMILESCC(CC1CCCC1)(C(=O)Nc1ccccn1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H22Cl2N2O/c1-20(13-14-6-2-3-7-14,15-9-10-16(21)17(22)12-15)19(25)24-18-8-4-5-11-23-18/h4-5,8-12,14H,2-3,6-7,13H2,1H3,(H,23,24,25)
InChIKeySQJALSUHEVRADI-UHFFFAOYSA-N
MW377.31 g/mol
LogP5.87
Rot. Bonds5

About 3-cyclopentyl-2-(3,4-dichlorophenyl)-2-methyl-N-pyridin-2-ylpropanamide

3-cyclopentyl-2-(3,4-dichlorophenyl)-2-methyl-N-pyridin-2-ylpropanamide (PubChem CID 142018497) has the molecular formula C20H22Cl2N2O and a molecular weight of 377.31 g/mol. Its IUPAC name is 3-cyclopentyl-2-(3,4-dichlorophenyl)-2-methyl-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name3-cyclopentyl-2-(3,4-dichlorophenyl)-2-methyl-N-pyridin-2-ylpropanamide
PubChem CID142018497
Molecular FormulaC20H22Cl2N2O
Molecular Weight377.31 g/mol
Exact Mass376.11
IUPAC Name3-cyclopentyl-2-(3,4-dichlorophenyl)-2-methyl-N-pyridin-2-ylpropanamide
SMILESCC(CC1CCCC1)(C(=O)Nc1ccccn1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H22Cl2N2O/c1-20(13-14-6-2-3-7-14,15-9-10-16(21)17(22)12-15)19(25)24-18-8-4-5-11-23-18/h4-5,8-12,14H,2-3,6-7,13H2,1H3,(H,23,24,25)
InChIKeySQJALSUHEVRADI-UHFFFAOYSA-N
XLogP5.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.31
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopentylmethyl)-2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-N-pyridin-2-ylbutanamide
CID 142018487
3-cyclopentyl-2-methyl-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 87419086
N-(2-methylcyclohexyl)-N'-pyridin-2-yloxamide
CID 108524992
2-(3,4-dimethoxyphenyl)-2-methyl-N-pyridin-2-ylpropanamide
CID 110439552
methyl 2,2-dimethyl-3-oxo-3-(pyridin-2-ylamino)propanoate
CID 115174756
2-cyano-2-methyl-N-pyridin-2-ylpropanamide
CID 60778942
N-(4-tert-butylphenyl)-N'-pyridin-2-yloxamide
CID 108525928
1-(2-hydroxycyclohexyl)-3-pyridin-2-ylurea
CID 51105726
1-(3-chloro-4-methylsulfonylphenyl)-2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethanol
CID 127041532
2-cyclopentyl-2-(3,4-dichlorophenyl)propanoic acid
CID 67957962
1-(4-chloro-2-pyridinyl)-3-pyridin-2-ylurea
CID 108894678
3-amino-3-methyl-N-pyridin-2-ylbutanamide
CID 64684321

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-(3,4-dichlorophenyl)-2-methyl-N-pyridin-2-ylpropanamide?
The IUPAC name of 3-cyclopentyl-2-(3,4-dichlorophenyl)-2-methyl-N-pyridin-2-ylpropanamide (CID 142018497) is 3-cyclopentyl-2-(3,4-dichlorophenyl)-2-methyl-N-pyridin-2-ylpropanamide.
What is the SMILES notation for 3-cyclopentyl-2-(3,4-dichlorophenyl)-2-methyl-N-pyridin-2-ylpropanamide?
The canonical SMILES for 3-cyclopentyl-2-(3,4-dichlorophenyl)-2-methyl-N-pyridin-2-ylpropanamide is CC(CC1CCCC1)(C(=O)Nc1ccccn1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-cyclopentyl-2-(3,4-dichlorophenyl)-2-methyl-N-pyridin-2-ylpropanamide?
The InChIKey is SQJALSUHEVRADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O/c1-20(13-14-6-2-3-7-14,15-9-10-16(21)17(22)12-15)19(25)24-18-8-4-5-11-23-18/h4-5,8-12,14H,2-3,6-7,13H2,1H3,(H,23,24,25).
What are the key properties of 3-cyclopentyl-2-(3,4-dichlorophenyl)-2-methyl-N-pyridin-2-ylpropanamide?
3-cyclopentyl-2-(3,4-dichlorophenyl)-2-methyl-N-pyridin-2-ylpropanamide has a molecular weight of 377.31 g/mol, XLogP of 5.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-(3,4-dichlorophenyl)-2-methyl-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 142018497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).