N-(4-bromo-3-methylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide

C17H20BrN3O — CID 109225084

IUPACN-(4-bromo-3-methylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cncc(NCC(C)C)c2)ccc1Br
InChIInChI=1S/C17H20BrN3O/c1-11(2)8-20-15-7-13(9-19-10-15)17(22)21-14-4-5-16(18)12(3)6-14/h4-7,9-11,20H,8H2,1-3H3,(H,21,22)
InChIKeyPDMNITDBQSIFQI-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.47
Rot. Bonds5

About N-(4-bromo-3-methylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide

N-(4-bromo-3-methylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide (PubChem CID 109225084) has the molecular formula C17H20BrN3O and a molecular weight of 362.27 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
PubChem CID109225084
Molecular FormulaC17H20BrN3O
Molecular Weight362.27 g/mol
Exact Mass361.08
IUPAC NameN-(4-bromo-3-methylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cncc(NCC(C)C)c2)ccc1Br
InChIInChI=1S/C17H20BrN3O/c1-11(2)8-20-15-7-13(9-19-10-15)17(22)21-14-4-5-16(18)12(3)6-14/h4-7,9-11,20H,8H2,1-3H3,(H,21,22)
InChIKeyPDMNITDBQSIFQI-UHFFFAOYSA-N
XLogP4.47
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-methylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide
CID 109239465
N-(3-cyanophenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109225107
3-N-(4-bromo-3-methylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106817
N-(2-methyl-6-propan-2-ylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109225028
5-(4-bromo-3-methylanilino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223324
N-(3-bromo-4-methylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224270
N-(4-bromo-3-methylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111125
N-(2-ethylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109225020
5-[(4-bromo-3-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid
CID 63157521
N-(3-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109225036
3-N-(3-bromo-4-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101453
N-(3,4-dimethylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224241

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide (CID 109225084) is N-(4-bromo-3-methylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide is Cc1cc(NC(=O)c2cncc(NCC(C)C)c2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide?
The InChIKey is PDMNITDBQSIFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O/c1-11(2)8-20-15-7-13(9-19-10-15)17(22)21-14-4-5-16(18)12(3)6-14/h4-7,9-11,20H,8H2,1-3H3,(H,21,22).
What are the key properties of N-(4-bromo-3-methylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide?
N-(4-bromo-3-methylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide has a molecular weight of 362.27 g/mol, XLogP of 4.47, 5 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-(2-methylpropylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109225084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).