5-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide

C15H22ClN3O3 — CID 71880013

IUPAC5-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCOCCN1CCC(CNC(=O)c2c[nH]c(=O)c(Cl)c2)CC1
InChIInChI=1S/C15H22ClN3O3/c1-22-7-6-19-4-2-11(3-5-19)9-17-14(20)12-8-13(16)15(21)18-10-12/h8,10-11H,2-7,9H2,1H3,(H,17,20)(H,18,21)
InChIKeyWRUXZKXBFJFOOT-UHFFFAOYSA-N
MW327.81 g/mol
LogP1.12
Rot. Bonds6

About 5-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide

5-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 71880013) has the molecular formula C15H22ClN3O3 and a molecular weight of 327.81 g/mol. Its IUPAC name is 5-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID71880013
Molecular FormulaC15H22ClN3O3
Molecular Weight327.81 g/mol
Exact Mass327.13
IUPAC Name5-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCOCCN1CCC(CNC(=O)c2c[nH]c(=O)c(Cl)c2)CC1
InChIInChI=1S/C15H22ClN3O3/c1-22-7-6-19-4-2-11(3-5-19)9-17-14(20)12-8-13(16)15(21)18-10-12/h8,10-11H,2-7,9H2,1H3,(H,17,20)(H,18,21)
InChIKeyWRUXZKXBFJFOOT-UHFFFAOYSA-N
XLogP1.12
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide (CID 71880013) is 5-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide is COCCN1CCC(CNC(=O)c2c[nH]c(=O)c(Cl)c2)CC1.
What is the InChIKey of 5-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is WRUXZKXBFJFOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O3/c1-22-7-6-19-4-2-11(3-5-19)9-17-14(20)12-8-13(16)15(21)18-10-12/h8,10-11H,2-7,9H2,1H3,(H,17,20)(H,18,21).
What are the key properties of 5-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide?
5-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 327.81 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 71880013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).