N-(4-bromo-2-methylphenyl)-2-[(3-cyano-2-pyridinyl)amino]acetamide

C15H13BrN4O — CID 31585343

IUPACN-(4-bromo-2-methylphenyl)-2-[(3-cyano-2-pyridinyl)amino]acetamide
SMILESCc1cc(Br)ccc1NC(=O)CNc1ncccc1C#N
InChIInChI=1S/C15H13BrN4O/c1-10-7-12(16)4-5-13(10)20-14(21)9-19-15-11(8-17)3-2-6-18-15/h2-7H,9H2,1H3,(H,18,19)(H,20,21)
InChIKeyRZWRGPFUFPABLH-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.07
Rot. Bonds4

About N-(4-bromo-2-methylphenyl)-2-[(3-cyano-2-pyridinyl)amino]acetamide

N-(4-bromo-2-methylphenyl)-2-[(3-cyano-2-pyridinyl)amino]acetamide (PubChem CID 31585343) has the molecular formula C15H13BrN4O and a molecular weight of 345.20 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-[(3-cyano-2-pyridinyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-[(3-cyano-2-pyridinyl)amino]acetamide
PubChem CID31585343
Molecular FormulaC15H13BrN4O
Molecular Weight345.20 g/mol
Exact Mass344.03
IUPAC NameN-(4-bromo-2-methylphenyl)-2-[(3-cyano-2-pyridinyl)amino]acetamide
SMILESCc1cc(Br)ccc1NC(=O)CNc1ncccc1C#N
InChIInChI=1S/C15H13BrN4O/c1-10-7-12(16)4-5-13(10)20-14(21)9-19-15-11(8-17)3-2-6-18-15/h2-7H,9H2,1H3,(H,18,19)(H,20,21)
InChIKeyRZWRGPFUFPABLH-UHFFFAOYSA-N
XLogP3.07
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-methylphenyl)-2-[(3-nitro-2-pyridinyl)amino]acetamide
CID 9195968
2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]acetamide
CID 46485325
N-(3-cyano-2-pyridinyl)-2-(methylamino)acetamide
CID 110470457
N-(4-bromo-2-methylphenyl)-2-(propylamino)pyridine-3-carboxamide
CID 62186791
ethyl 2-[[3-(4-bromo-2-methylanilino)-3-oxopropyl]amino]pyridine-3-carboxylate
CID 133469735
N-(4-bromo-2-methylphenyl)-2-[(6-methyl-2-pyridinyl)amino]acetamide
CID 133313355
N-(4-bromo-2-methylphenyl)-2-[(5-nitro-2-pyridinyl)amino]acetamide
CID 32680618
2-(2-methylprop-2-enylamino)pyridine-3-carbonitrile
CID 114617287
N-(4-bromo-2-cyanophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 82704103
N-(4-bromo-2-methylphenyl)-2-[[4-(dimethylamino)pyrimidin-2-yl]amino]acetamide
CID 133382429
2-(6-bromonaphthalen-2-yl)oxy-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]acetamide
CID 55840055
2-(4-bromo-2-cyanoanilino)-N-(4-bromophenyl)acetamide
CID 78994184

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-[(3-cyano-2-pyridinyl)amino]acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-[(3-cyano-2-pyridinyl)amino]acetamide (CID 31585343) is N-(4-bromo-2-methylphenyl)-2-[(3-cyano-2-pyridinyl)amino]acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-[(3-cyano-2-pyridinyl)amino]acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-[(3-cyano-2-pyridinyl)amino]acetamide is Cc1cc(Br)ccc1NC(=O)CNc1ncccc1C#N.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-[(3-cyano-2-pyridinyl)amino]acetamide?
The InChIKey is RZWRGPFUFPABLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O/c1-10-7-12(16)4-5-13(10)20-14(21)9-19-15-11(8-17)3-2-6-18-15/h2-7H,9H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-[(3-cyano-2-pyridinyl)amino]acetamide?
N-(4-bromo-2-methylphenyl)-2-[(3-cyano-2-pyridinyl)amino]acetamide has a molecular weight of 345.20 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-[(3-cyano-2-pyridinyl)amino]acetamide is sourced from PubChem (CID 31585343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).