1-(6-chloro-3-pyridinyl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide

C12H15ClN2O2 — CID 121376715

IUPAC1-(6-chloro-3-pyridinyl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide
SMILESCOCCNC(=O)C1(c2ccc(Cl)nc2)CC1
InChIInChI=1S/C12H15ClN2O2/c1-17-7-6-14-11(16)12(4-5-12)9-2-3-10(13)15-8-9/h2-3,8H,4-7H2,1H3,(H,14,16)
InChIKeyRORTYLYMBXEVPN-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.53
Rot. Bonds5

About 1-(6-chloro-3-pyridinyl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide

1-(6-chloro-3-pyridinyl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide (PubChem CID 121376715) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 1-(6-chloro-3-pyridinyl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(6-chloro-3-pyridinyl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide
PubChem CID121376715
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name1-(6-chloro-3-pyridinyl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide
SMILESCOCCNC(=O)C1(c2ccc(Cl)nc2)CC1
InChIInChI=1S/C12H15ClN2O2/c1-17-7-6-14-11(16)12(4-5-12)9-2-3-10(13)15-8-9/h2-3,8H,4-7H2,1H3,(H,14,16)
InChIKeyRORTYLYMBXEVPN-UHFFFAOYSA-N
XLogP1.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-acetamidophenyl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 50821434
N-(2-methoxyethyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide
CID 100788996
1-(4-fluorophenyl)-N-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 112537817
1-[4-(cyclopropanecarbonylamino)phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 50821436
methyl 4-(6-chloro-3-pyridinyl)piperidine-4-carboxylate
CID 156502964
1-(4-methoxyphenyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide
CID 110485708
4-chloro-N-[4-[1-(2-methoxyethylcarbamoyl)cyclobutyl]phenyl]benzamide
CID 46384111
1-[4-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 50822330
2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 47145617
4-chloro-N-[4-[1-(3-methoxypropylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821650
1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 50822392
1-(2,4-dichlorophenyl)-N-(2-methoxyethyl)cyclobutane-1-carboxamide
CID 110437487

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-pyridinyl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(6-chloro-3-pyridinyl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide (CID 121376715) is 1-(6-chloro-3-pyridinyl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(6-chloro-3-pyridinyl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(6-chloro-3-pyridinyl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide is COCCNC(=O)C1(c2ccc(Cl)nc2)CC1.
What is the InChIKey of 1-(6-chloro-3-pyridinyl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide?
The InChIKey is RORTYLYMBXEVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-17-7-6-14-11(16)12(4-5-12)9-2-3-10(13)15-8-9/h2-3,8H,4-7H2,1H3,(H,14,16).
What are the key properties of 1-(6-chloro-3-pyridinyl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide?
1-(6-chloro-3-pyridinyl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide has a molecular weight of 254.72 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-pyridinyl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 121376715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).