4-N-(2-bromo-4-methylphenyl)-2-N-tert-butylpyridine-2,4-dicarboxamide

C18H20BrN3O2 — CID 109089325

IUPAC4-N-(2-bromo-4-methylphenyl)-2-N-tert-butylpyridine-2,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(=O)NC(C)(C)C)c2)c(Br)c1
InChIInChI=1S/C18H20BrN3O2/c1-11-5-6-14(13(19)9-11)21-16(23)12-7-8-20-15(10-12)17(24)22-18(2,3)4/h5-10H,1-4H3,(H,21,23)(H,22,24)
InChIKeySJTMWVVCVBNAKS-UHFFFAOYSA-N
MW390.28 g/mol
LogP3.93
Rot. Bonds3

About 4-N-(2-bromo-4-methylphenyl)-2-N-tert-butylpyridine-2,4-dicarboxamide

4-N-(2-bromo-4-methylphenyl)-2-N-tert-butylpyridine-2,4-dicarboxamide (PubChem CID 109089325) has the molecular formula C18H20BrN3O2 and a molecular weight of 390.28 g/mol. Its IUPAC name is 4-N-(2-bromo-4-methylphenyl)-2-N-tert-butylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-bromo-4-methylphenyl)-2-N-tert-butylpyridine-2,4-dicarboxamide
PubChem CID109089325
Molecular FormulaC18H20BrN3O2
Molecular Weight390.28 g/mol
Exact Mass389.07
IUPAC Name4-N-(2-bromo-4-methylphenyl)-2-N-tert-butylpyridine-2,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(=O)NC(C)(C)C)c2)c(Br)c1
InChIInChI=1S/C18H20BrN3O2/c1-11-5-6-14(13(19)9-11)21-16(23)12-7-8-20-15(10-12)17(24)22-18(2,3)4/h5-10H,1-4H3,(H,21,23)(H,22,24)
InChIKeySJTMWVVCVBNAKS-UHFFFAOYSA-N
XLogP3.93
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 53.93
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-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide
CID 109089176
2-N-(2-bromo-4-methylphenyl)-4-N,4-N-diethylpyridine-2,4-dicarboxamide
CID 109088863
4-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide
CID 62153202
N-(2-bromo-4-methylphenyl)-N'-tert-butyloxamide
CID 108506932
2-N-tert-butyl-4-N-(2-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109089264
4-N-tert-butyl-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109089156
2-(azepan-1-yl)-N-(2-bromo-4-methylphenyl)pyridine-4-carboxamide
CID 109176083
2-N-(2,4-difluorophenyl)-4-N-(2,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109091819
4-N-tert-butyl-2-N-(3-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109089161
N-(2-bromo-4-methylphenyl)-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 109202431
N-(2-bromo-4-methylphenyl)-2-(cyclohexylamino)pyridine-4-carboxamide
CID 109166381

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromo-4-methylphenyl)-2-N-tert-butylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(2-bromo-4-methylphenyl)-2-N-tert-butylpyridine-2,4-dicarboxamide (CID 109089325) is 4-N-(2-bromo-4-methylphenyl)-2-N-tert-butylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-bromo-4-methylphenyl)-2-N-tert-butylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(2-bromo-4-methylphenyl)-2-N-tert-butylpyridine-2,4-dicarboxamide is Cc1ccc(NC(=O)c2ccnc(C(=O)NC(C)(C)C)c2)c(Br)c1.
What is the InChIKey of 4-N-(2-bromo-4-methylphenyl)-2-N-tert-butylpyridine-2,4-dicarboxamide?
The InChIKey is SJTMWVVCVBNAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O2/c1-11-5-6-14(13(19)9-11)21-16(23)12-7-8-20-15(10-12)17(24)22-18(2,3)4/h5-10H,1-4H3,(H,21,23)(H,22,24).
What are the key properties of 4-N-(2-bromo-4-methylphenyl)-2-N-tert-butylpyridine-2,4-dicarboxamide?
4-N-(2-bromo-4-methylphenyl)-2-N-tert-butylpyridine-2,4-dicarboxamide has a molecular weight of 390.28 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromo-4-methylphenyl)-2-N-tert-butylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109089325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).