N-[[5-chloro-2-(3-methoxypropyl)-4-pyridinyl]methyl]cyclopropanecarboxamide;hydrochloride

C14H20Cl2N2O2 — CID 69143335

IUPACN-[[5-chloro-2-(3-methoxypropyl)-4-pyridinyl]methyl]cyclopropanecarboxamide;hydrochloride
SMILESCOCCCc1cc(CNC(=O)C2CC2)c(Cl)cn1.Cl
InChIInChI=1S/C14H19ClN2O2.ClH/c1-19-6-2-3-12-7-11(13(15)9-16-12)8-17-14(18)10-4-5-10;/h7,9-10H,2-6,8H2,1H3,(H,17,18);1H
InChIKeyTUAXHWLNWCNARJ-UHFFFAOYSA-N
MW319.23 g/mol
LogP2.76
Rot. Bonds7

About N-[[5-chloro-2-(3-methoxypropyl)-4-pyridinyl]methyl]cyclopropanecarboxamide;hydrochloride

N-[[5-chloro-2-(3-methoxypropyl)-4-pyridinyl]methyl]cyclopropanecarboxamide;hydrochloride (PubChem CID 69143335) has the molecular formula C14H20Cl2N2O2 and a molecular weight of 319.23 g/mol. Its IUPAC name is N-[[5-chloro-2-(3-methoxypropyl)-4-pyridinyl]methyl]cyclopropanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[5-chloro-2-(3-methoxypropyl)-4-pyridinyl]methyl]cyclopropanecarboxamide;hydrochloride
PubChem CID69143335
Molecular FormulaC14H20Cl2N2O2
Molecular Weight319.23 g/mol
Exact Mass318.09
IUPAC NameN-[[5-chloro-2-(3-methoxypropyl)-4-pyridinyl]methyl]cyclopropanecarboxamide;hydrochloride
SMILESCOCCCc1cc(CNC(=O)C2CC2)c(Cl)cn1.Cl
InChIInChI=1S/C14H19ClN2O2.ClH/c1-19-6-2-3-12-7-11(13(15)9-16-12)8-17-14(18)10-4-5-10;/h7,9-10H,2-6,8H2,1H3,(H,17,18);1H
InChIKeyTUAXHWLNWCNARJ-UHFFFAOYSA-N
XLogP2.76
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(3-methoxypropyl)-4-pyridinyl]methyl]cyclopropanecarboxamide;hydrochloride?
The IUPAC name of N-[[5-chloro-2-(3-methoxypropyl)-4-pyridinyl]methyl]cyclopropanecarboxamide;hydrochloride (CID 69143335) is N-[[5-chloro-2-(3-methoxypropyl)-4-pyridinyl]methyl]cyclopropanecarboxamide;hydrochloride.
What is the SMILES notation for N-[[5-chloro-2-(3-methoxypropyl)-4-pyridinyl]methyl]cyclopropanecarboxamide;hydrochloride?
The canonical SMILES for N-[[5-chloro-2-(3-methoxypropyl)-4-pyridinyl]methyl]cyclopropanecarboxamide;hydrochloride is COCCCc1cc(CNC(=O)C2CC2)c(Cl)cn1.Cl.
What is the InChIKey of N-[[5-chloro-2-(3-methoxypropyl)-4-pyridinyl]methyl]cyclopropanecarboxamide;hydrochloride?
The InChIKey is TUAXHWLNWCNARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2.ClH/c1-19-6-2-3-12-7-11(13(15)9-16-12)8-17-14(18)10-4-5-10;/h7,9-10H,2-6,8H2,1H3,(H,17,18);1H.
What are the key properties of N-[[5-chloro-2-(3-methoxypropyl)-4-pyridinyl]methyl]cyclopropanecarboxamide;hydrochloride?
N-[[5-chloro-2-(3-methoxypropyl)-4-pyridinyl]methyl]cyclopropanecarboxamide;hydrochloride has a molecular weight of 319.23 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(3-methoxypropyl)-4-pyridinyl]methyl]cyclopropanecarboxamide;hydrochloride is sourced from PubChem (CID 69143335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).