5-bromo-N-[1-(2-methylphenyl)propan-2-yl]pyridine-3-carboxamide

C16H17BrN2O — CID 47296504

IUPAC5-bromo-N-[1-(2-methylphenyl)propan-2-yl]pyridine-3-carboxamide
SMILESCc1ccccc1CC(C)NC(=O)c1cncc(Br)c1
InChIInChI=1S/C16H17BrN2O/c1-11-5-3-4-6-13(11)7-12(2)19-16(20)14-8-15(17)10-18-9-14/h3-6,8-10,12H,7H2,1-2H3,(H,19,20)
InChIKeyMKBGPNAZXGSKJZ-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.51
Rot. Bonds4

About 5-bromo-N-[1-(2-methylphenyl)propan-2-yl]pyridine-3-carboxamide

5-bromo-N-[1-(2-methylphenyl)propan-2-yl]pyridine-3-carboxamide (PubChem CID 47296504) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 5-bromo-N-[1-(2-methylphenyl)propan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(2-methylphenyl)propan-2-yl]pyridine-3-carboxamide
PubChem CID47296504
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name5-bromo-N-[1-(2-methylphenyl)propan-2-yl]pyridine-3-carboxamide
SMILESCc1ccccc1CC(C)NC(=O)c1cncc(Br)c1
InChIInChI=1S/C16H17BrN2O/c1-11-5-3-4-6-13(11)7-12(2)19-16(20)14-8-15(17)10-18-9-14/h3-6,8-10,12H,7H2,1-2H3,(H,19,20)
InChIKeyMKBGPNAZXGSKJZ-UHFFFAOYSA-N
XLogP3.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(5-methylhexan-2-yl)pyridine-3-carboxamide
CID 60628143
5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide
CID 115636073
5-bromo-N-[(2R)-1-(furan-3-yl)propan-2-yl]pyridine-3-carboxamide
CID 97030221
N-butan-2-yl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109225134
4-fluoro-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 47296505
5-iodo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-3-carboxamide
CID 78948571
5-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]pyridine-3-carboxamide
CID 9220092
2-bromo-N-[1-(2-methylphenyl)propan-2-yl]butanamide
CID 62854671
5-bromo-N-[(1R)-3-methyl-1-phenylbutyl]pyridine-3-carboxamide
CID 27853245
4,5-dibromo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-2-carboxamide
CID 80536486
5-hydroxy-N-[1-(2-methoxyphenyl)propan-2-yl]pyridine-3-carboxamide
CID 63859035
5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 8750450

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(2-methylphenyl)propan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[1-(2-methylphenyl)propan-2-yl]pyridine-3-carboxamide (CID 47296504) is 5-bromo-N-[1-(2-methylphenyl)propan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(2-methylphenyl)propan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(2-methylphenyl)propan-2-yl]pyridine-3-carboxamide is Cc1ccccc1CC(C)NC(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[1-(2-methylphenyl)propan-2-yl]pyridine-3-carboxamide?
The InChIKey is MKBGPNAZXGSKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-11-5-3-4-6-13(11)7-12(2)19-16(20)14-8-15(17)10-18-9-14/h3-6,8-10,12H,7H2,1-2H3,(H,19,20).
What are the key properties of 5-bromo-N-[1-(2-methylphenyl)propan-2-yl]pyridine-3-carboxamide?
5-bromo-N-[1-(2-methylphenyl)propan-2-yl]pyridine-3-carboxamide has a molecular weight of 333.23 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(2-methylphenyl)propan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 47296504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).