4-N-tert-butyl-2-N-(3-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide

C18H20ClN3O2 — CID 109089161

IUPAC4-N-tert-butyl-2-N-(3-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc(C(=O)NC(C)(C)C)ccn1
InChIInChI=1S/C18H20ClN3O2/c1-11-13(19)6-5-7-14(11)21-17(24)15-10-12(8-9-20-15)16(23)22-18(2,3)4/h5-10H,1-4H3,(H,21,24)(H,22,23)
InChIKeyIUJGTZBEEXFKGD-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.82
Rot. Bonds3

About 4-N-tert-butyl-2-N-(3-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide

4-N-tert-butyl-2-N-(3-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide (PubChem CID 109089161) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 4-N-tert-butyl-2-N-(3-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-tert-butyl-2-N-(3-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide
PubChem CID109089161
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name4-N-tert-butyl-2-N-(3-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc(C(=O)NC(C)(C)C)ccn1
InChIInChI=1S/C18H20ClN3O2/c1-11-13(19)6-5-7-14(11)21-17(24)15-10-12(8-9-20-15)16(23)22-18(2,3)4/h5-10H,1-4H3,(H,21,24)(H,22,23)
InChIKeyIUJGTZBEEXFKGD-UHFFFAOYSA-N
XLogP3.82
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-tert-butyl-4-N-(2,3-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109089263
4-N-tert-butyl-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109089156
4-N-(3-chloro-2-methylphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
CID 109092904
4-N-(2-chlorophenyl)-2-N-(2,3-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109092151
4-N-tert-butyl-2-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide
CID 109089227
2-N-(3-chloro-2-methylphenyl)-4-N,4-N-dipropylpyridine-2,4-dicarboxamide
CID 109090481
2-N-(3-chloro-2-methylphenyl)-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092910
N-(3-chloro-2-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084484
N-(3-chloro-2-methylphenyl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081888
2-N-(3-chloro-2-methylphenyl)-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109092335
2-N-tert-butyl-4-N-(2-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109089264
N-(3-chloro-2-methylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203910

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-2-N-(3-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-tert-butyl-2-N-(3-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide (CID 109089161) is 4-N-tert-butyl-2-N-(3-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-tert-butyl-2-N-(3-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-tert-butyl-2-N-(3-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide is Cc1c(Cl)cccc1NC(=O)c1cc(C(=O)NC(C)(C)C)ccn1.
What is the InChIKey of 4-N-tert-butyl-2-N-(3-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide?
The InChIKey is IUJGTZBEEXFKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-11-13(19)6-5-7-14(11)21-17(24)15-10-12(8-9-20-15)16(23)22-18(2,3)4/h5-10H,1-4H3,(H,21,24)(H,22,23).
What are the key properties of 4-N-tert-butyl-2-N-(3-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide?
4-N-tert-butyl-2-N-(3-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide has a molecular weight of 345.83 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-2-N-(3-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109089161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).