6-N-tert-butyl-2-N-[(2-chlorophenyl)methyl]pyridine-2,6-dicarboxamide

C18H20ClN3O2 — CID 109097887

IUPAC6-N-tert-butyl-2-N-[(2-chlorophenyl)methyl]pyridine-2,6-dicarboxamide
SMILESCC(C)(C)NC(=O)c1cccc(C(=O)NCc2ccccc2Cl)n1
InChIInChI=1S/C18H20ClN3O2/c1-18(2,3)22-17(24)15-10-6-9-14(21-15)16(23)20-11-12-7-4-5-8-13(12)19/h4-10H,11H2,1-3H3,(H,20,23)(H,22,24)
InChIKeyKBBOQEQTBGULPA-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.19
Rot. Bonds4

About 6-N-tert-butyl-2-N-[(2-chlorophenyl)methyl]pyridine-2,6-dicarboxamide

6-N-tert-butyl-2-N-[(2-chlorophenyl)methyl]pyridine-2,6-dicarboxamide (PubChem CID 109097887) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 6-N-tert-butyl-2-N-[(2-chlorophenyl)methyl]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-tert-butyl-2-N-[(2-chlorophenyl)methyl]pyridine-2,6-dicarboxamide
PubChem CID109097887
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name6-N-tert-butyl-2-N-[(2-chlorophenyl)methyl]pyridine-2,6-dicarboxamide
SMILESCC(C)(C)NC(=O)c1cccc(C(=O)NCc2ccccc2Cl)n1
InChIInChI=1S/C18H20ClN3O2/c1-18(2,3)22-17(24)15-10-6-9-14(21-15)16(23)20-11-12-7-4-5-8-13(12)19/h4-10H,11H2,1-3H3,(H,20,23)(H,22,24)
InChIKeyKBBOQEQTBGULPA-UHFFFAOYSA-N
XLogP3.19
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[(2-chlorophenyl)methyl]-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094410
2-N-[(2-chlorophenyl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093646
3-N-tert-butyl-1-N-[(2-chlorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054733
N-[(2-chlorophenyl)methyl]-6-methoxypyridine-2-carboxamide
CID 110851400
N-[(2-chlorophenyl)methyl]-6-(dimethylamino)pyridine-2-carboxamide
CID 84575011
2-N-[(2-chlorophenyl)methyl]-6-N-(4-ethylphenyl)pyridine-2,6-dicarboxamide
CID 109097909
2-N-[(2-chlorophenyl)methyl]-6-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109097915
6-N-tert-butyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098333
N-[(2-chlorophenyl)methyl]-8-hydroxyquinoline-2-carboxamide
CID 46364203
5-(tert-butylamino)-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 109281813
6-N-(3-chloro-2-methylphenyl)-2-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097382
6-(tert-butylcarbamoyl)pyridine-2-carboxylic acid
CID 43558262

Frequently Asked Questions

What is the IUPAC name of 6-N-tert-butyl-2-N-[(2-chlorophenyl)methyl]pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-tert-butyl-2-N-[(2-chlorophenyl)methyl]pyridine-2,6-dicarboxamide (CID 109097887) is 6-N-tert-butyl-2-N-[(2-chlorophenyl)methyl]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-tert-butyl-2-N-[(2-chlorophenyl)methyl]pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-tert-butyl-2-N-[(2-chlorophenyl)methyl]pyridine-2,6-dicarboxamide is CC(C)(C)NC(=O)c1cccc(C(=O)NCc2ccccc2Cl)n1.
What is the InChIKey of 6-N-tert-butyl-2-N-[(2-chlorophenyl)methyl]pyridine-2,6-dicarboxamide?
The InChIKey is KBBOQEQTBGULPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-18(2,3)22-17(24)15-10-6-9-14(21-15)16(23)20-11-12-7-4-5-8-13(12)19/h4-10H,11H2,1-3H3,(H,20,23)(H,22,24).
What are the key properties of 6-N-tert-butyl-2-N-[(2-chlorophenyl)methyl]pyridine-2,6-dicarboxamide?
6-N-tert-butyl-2-N-[(2-chlorophenyl)methyl]pyridine-2,6-dicarboxamide has a molecular weight of 345.83 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-tert-butyl-2-N-[(2-chlorophenyl)methyl]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109097887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).