N-[(2-chlorophenyl)methyl]-6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide

C22H23ClN4O2 — CID 126465824

IUPACN-[(2-chlorophenyl)methyl]-6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCN(CCc1ccccn1)Cc1ccc(C(=O)NCc2ccccc2Cl)c(=O)[nH]1
InChIInChI=1S/C22H23ClN4O2/c1-27(13-11-17-7-4-5-12-24-17)15-18-9-10-19(22(29)26-18)21(28)25-14-16-6-2-3-8-20(16)23/h2-10,12H,11,13-15H2,1H3,(H,25,28)(H,26,29)
InChIKeyJGWOKXUMXJYUQH-UHFFFAOYSA-N
MW410.91 g/mol
LogP3.03
Rot. Bonds8

About N-[(2-chlorophenyl)methyl]-6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide

N-[(2-chlorophenyl)methyl]-6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 126465824) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID126465824
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC NameN-[(2-chlorophenyl)methyl]-6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCN(CCc1ccccn1)Cc1ccc(C(=O)NCc2ccccc2Cl)c(=O)[nH]1
InChIInChI=1S/C22H23ClN4O2/c1-27(13-11-17-7-4-5-12-24-17)15-18-9-10-19(22(29)26-18)21(28)25-14-16-6-2-3-8-20(16)23/h2-10,12H,11,13-15H2,1H3,(H,25,28)(H,26,29)
InChIKeyJGWOKXUMXJYUQH-UHFFFAOYSA-N
XLogP3.03
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 126465824) is N-[(2-chlorophenyl)methyl]-6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide is CN(CCc1ccccn1)Cc1ccc(C(=O)NCc2ccccc2Cl)c(=O)[nH]1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is JGWOKXUMXJYUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c1-27(13-11-17-7-4-5-12-24-17)15-18-9-10-19(22(29)26-18)21(28)25-14-16-6-2-3-8-20(16)23/h2-10,12H,11,13-15H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N-[(2-chlorophenyl)methyl]-6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide?
N-[(2-chlorophenyl)methyl]-6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 410.91 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 126465824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).