N-[(4-chloro-2-pyridinyl)methyl]-1-(2-methoxyethyl)cyclopropane-1-carboxamide

C13H17ClN2O2 — CID 75445100

IUPACN-[(4-chloro-2-pyridinyl)methyl]-1-(2-methoxyethyl)cyclopropane-1-carboxamide
SMILESCOCCC1(C(=O)NCc2cc(Cl)ccn2)CC1
InChIInChI=1S/C13H17ClN2O2/c1-18-7-5-13(3-4-13)12(17)16-9-11-8-10(14)2-6-15-11/h2,6,8H,3-5,7,9H2,1H3,(H,16,17)
InChIKeyMZRGKVPMPAWDRG-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.17
Rot. Bonds6

About N-[(4-chloro-2-pyridinyl)methyl]-1-(2-methoxyethyl)cyclopropane-1-carboxamide

N-[(4-chloro-2-pyridinyl)methyl]-1-(2-methoxyethyl)cyclopropane-1-carboxamide (PubChem CID 75445100) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-[(4-chloro-2-pyridinyl)methyl]-1-(2-methoxyethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-2-pyridinyl)methyl]-1-(2-methoxyethyl)cyclopropane-1-carboxamide
PubChem CID75445100
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-[(4-chloro-2-pyridinyl)methyl]-1-(2-methoxyethyl)cyclopropane-1-carboxamide
SMILESCOCCC1(C(=O)NCc2cc(Cl)ccn2)CC1
InChIInChI=1S/C13H17ClN2O2/c1-18-7-5-13(3-4-13)12(17)16-9-11-8-10(14)2-6-15-11/h2,6,8H,3-5,7,9H2,1H3,(H,16,17)
InChIKeyMZRGKVPMPAWDRG-UHFFFAOYSA-N
XLogP2.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-pyridinyl)methyl]-1-(2-methoxyethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(4-chloro-2-pyridinyl)methyl]-1-(2-methoxyethyl)cyclopropane-1-carboxamide (CID 75445100) is N-[(4-chloro-2-pyridinyl)methyl]-1-(2-methoxyethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(4-chloro-2-pyridinyl)methyl]-1-(2-methoxyethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(4-chloro-2-pyridinyl)methyl]-1-(2-methoxyethyl)cyclopropane-1-carboxamide is COCCC1(C(=O)NCc2cc(Cl)ccn2)CC1.
What is the InChIKey of N-[(4-chloro-2-pyridinyl)methyl]-1-(2-methoxyethyl)cyclopropane-1-carboxamide?
The InChIKey is MZRGKVPMPAWDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-18-7-5-13(3-4-13)12(17)16-9-11-8-10(14)2-6-15-11/h2,6,8H,3-5,7,9H2,1H3,(H,16,17).
What are the key properties of N-[(4-chloro-2-pyridinyl)methyl]-1-(2-methoxyethyl)cyclopropane-1-carboxamide?
N-[(4-chloro-2-pyridinyl)methyl]-1-(2-methoxyethyl)cyclopropane-1-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-pyridinyl)methyl]-1-(2-methoxyethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 75445100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).