1-(2-chlorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclopentane-1-carboxamide

C21H25ClN2O2 — CID 100770113

IUPAC1-(2-chlorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclopentane-1-carboxamide
SMILESCCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)c(C)n1
InChIInChI=1S/C21H25ClN2O2/c1-3-14-26-19-11-10-18(15(2)23-19)24-20(25)21(12-6-7-13-21)16-8-4-5-9-17(16)22/h4-5,8-11H,3,6-7,12-14H2,1-2H3,(H,24,25)
InChIKeyKEVQKSSHGUGQQW-UHFFFAOYSA-N
MW372.90 g/mol
LogP5.28
Rot. Bonds6

About 1-(2-chlorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclopentane-1-carboxamide

1-(2-chlorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclopentane-1-carboxamide (PubChem CID 100770113) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclopentane-1-carboxamide
PubChem CID100770113
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name1-(2-chlorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclopentane-1-carboxamide
SMILESCCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)c(C)n1
InChIInChI=1S/C21H25ClN2O2/c1-3-14-26-19-11-10-18(15(2)23-19)24-20(25)21(12-6-7-13-21)16-8-4-5-9-17(16)22/h4-5,8-11H,3,6-7,12-14H2,1-2H3,(H,24,25)
InChIKeyKEVQKSSHGUGQQW-UHFFFAOYSA-N
XLogP5.28
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.90
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]cyclohexane-1-carboxamide
CID 100771590
1-(2,4-dichlorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
CID 100771719
1-(2-fluorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
CID 100771052
1-(2-chlorophenyl)-N-(6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
CID 100771541
N-(6-ethoxy-2-methyl-3-pyridinyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
CID 100769710
1-ethoxy-N-(2-methyl-6-propoxy-3-pyridinyl)cyclopentane-1-carboxamide
CID 100776904
1-ethoxy-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
CID 100776979
1-(2-chlorophenyl)-N-(5-methyl-6-propoxy-3-pyridinyl)cyclopentane-1-carboxamide
CID 100770147
N-(6-butoxy-2-methyl-3-pyridinyl)-1-methoxycycloheptane-1-carboxamide
CID 100775270
N-(6-ethoxy-2-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100770764
1-ethoxy-4-methyl-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
CID 100777348
1-(2,4-dichlorophenyl)-N-(8-propoxyquinolin-5-yl)cyclohexane-1-carboxamide
CID 100771786

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclopentane-1-carboxamide (CID 100770113) is 1-(2-chlorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclopentane-1-carboxamide is CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)c(C)n1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclopentane-1-carboxamide?
The InChIKey is KEVQKSSHGUGQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-3-14-26-19-11-10-18(15(2)23-19)24-20(25)21(12-6-7-13-21)16-8-4-5-9-17(16)22/h4-5,8-11H,3,6-7,12-14H2,1-2H3,(H,24,25).
What are the key properties of 1-(2-chlorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclopentane-1-carboxamide?
1-(2-chlorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclopentane-1-carboxamide has a molecular weight of 372.90 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 100770113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).