N-(2-bromo-3-methylphenyl)-5-(propylamino)pyridine-2-carboxamide

C16H18BrN3O — CID 104641911

IUPACN-(2-bromo-3-methylphenyl)-5-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(C(=O)Nc2cccc(C)c2Br)nc1
InChIInChI=1S/C16H18BrN3O/c1-3-9-18-12-7-8-14(19-10-12)16(21)20-13-6-4-5-11(2)15(13)17/h4-8,10,18H,3,9H2,1-2H3,(H,20,21)
InChIKeyVCLKFPOFMDNFFR-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.23
Rot. Bonds5

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

N-(2-bromo-3-methylphenyl)-5-(propylamino)pyridine-2-carboxamide (PubChem CID 104641911) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is N-(2-bromo-3-methylphenyl)-5-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-methylphenyl)-5-(propylamino)pyridine-2-carboxamide
PubChem CID104641911
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC NameN-(2-bromo-3-methylphenyl)-5-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(C(=O)Nc2cccc(C)c2Br)nc1
InChIInChI=1S/C16H18BrN3O/c1-3-9-18-12-7-8-14(19-10-12)16(21)20-13-6-4-5-11(2)15(13)17/h4-8,10,18H,3,9H2,1-2H3,(H,20,21)
InChIKeyVCLKFPOFMDNFFR-UHFFFAOYSA-N
XLogP4.23
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-3-methylphenyl)-5-hydrazinylpyridine-2-carboxamide
CID 113436381
N-(3-chloro-2-methylphenyl)-5-(propylamino)pyridine-2-carboxamide
CID 109179356
N-(2-methyl-3-pyridinyl)-5-(propylamino)pyridine-2-carboxamide
CID 104641691
N-(2-methoxyphenyl)-5-(propylamino)pyridine-2-carboxamide
CID 109179366
N-(3-methyl-4-pyridinyl)-5-(propylamino)pyridine-2-carboxamide
CID 104641367
5-(ethylamino)-N-(2-methylphenyl)pyridine-2-carboxamide
CID 104640059
N-(3-bromo-4-pyridinyl)-5-(propylamino)pyridine-2-carboxamide
CID 104641936
N-(2,3-dimethylphenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191893
N-(2,5-difluorophenyl)-5-(propylamino)pyridine-2-carboxamide
CID 104639737
N-(3-fluorophenyl)-5-(propylamino)pyridine-2-carboxamide
CID 109179399
N-(5-bromopyrazin-2-yl)-5-(propylamino)pyridine-2-carboxamide
CID 104641633
N-[2,6-di(propan-2-yl)phenyl]-5-(propylamino)pyridine-2-carboxamide
CID 109179407

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-methylphenyl)-5-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-(2-bromo-3-methylphenyl)-5-(propylamino)pyridine-2-carboxamide (CID 104641911) is N-(2-bromo-3-methylphenyl)-5-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-bromo-3-methylphenyl)-5-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(2-bromo-3-methylphenyl)-5-(propylamino)pyridine-2-carboxamide is CCCNc1ccc(C(=O)Nc2cccc(C)c2Br)nc1.
What is the InChIKey of N-(2-bromo-3-methylphenyl)-5-(propylamino)pyridine-2-carboxamide?
The InChIKey is VCLKFPOFMDNFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-3-9-18-12-7-8-14(19-10-12)16(21)20-13-6-4-5-11(2)15(13)17/h4-8,10,18H,3,9H2,1-2H3,(H,20,21).
What are the key properties of N-(2-bromo-3-methylphenyl)-5-(propylamino)pyridine-2-carboxamide?
N-(2-bromo-3-methylphenyl)-5-(propylamino)pyridine-2-carboxamide has a molecular weight of 348.24 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-methylphenyl)-5-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 104641911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).