N-(4-bromo-3-methylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide

C17H20BrN3O — CID 109239465

IUPACN-(4-bromo-3-methylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cncc(NC(C)(C)C)c2)ccc1Br
InChIInChI=1S/C17H20BrN3O/c1-11-7-13(5-6-15(11)18)20-16(22)12-8-14(10-19-9-12)21-17(2,3)4/h5-10,21H,1-4H3,(H,20,22)
InChIKeyQFVPBNPGPVJYLM-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.62
Rot. Bonds3

About N-(4-bromo-3-methylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide

N-(4-bromo-3-methylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide (PubChem CID 109239465) has the molecular formula C17H20BrN3O and a molecular weight of 362.27 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide
PubChem CID109239465
Molecular FormulaC17H20BrN3O
Molecular Weight362.27 g/mol
Exact Mass361.08
IUPAC NameN-(4-bromo-3-methylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cncc(NC(C)(C)C)c2)ccc1Br
InChIInChI=1S/C17H20BrN3O/c1-11-7-13(5-6-15(11)18)20-16(22)12-8-14(10-19-9-12)21-17(2,3)4/h5-10,21H,1-4H3,(H,20,22)
InChIKeyQFVPBNPGPVJYLM-UHFFFAOYSA-N
XLogP4.62
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-5-(tert-butylamino)pyridine-3-carboxamide
CID 109239425
N-(3-bromophenyl)-5-(tert-butylamino)pyridine-3-carboxamide
CID 109239462
N-(4-bromo-3-methylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109225084
N-(4-acetylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide
CID 109239442
N-(4-bromo-2-methylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide
CID 109239464
5-(tert-butylamino)-N-phenylpyridine-3-carboxamide
CID 109239388
3-N-(4-bromo-3-methylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106817
5-[(4-bromo-3-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid
CID 63157521
5-(tert-butylamino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 109239396
5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
CID 109239451
5-(tert-butylamino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109239395
5-(tert-butylamino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109239400

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide (CID 109239465) is N-(4-bromo-3-methylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide is Cc1cc(NC(=O)c2cncc(NC(C)(C)C)c2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide?
The InChIKey is QFVPBNPGPVJYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O/c1-11-7-13(5-6-15(11)18)20-16(22)12-8-14(10-19-9-12)21-17(2,3)4/h5-10,21H,1-4H3,(H,20,22).
What are the key properties of N-(4-bromo-3-methylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide?
N-(4-bromo-3-methylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide has a molecular weight of 362.27 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109239465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).