2-(3-bromophenyl)-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide

C17H20BrN3O — CID 113024286

IUPAC2-(3-bromophenyl)-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide
SMILESCCC(C)Nc1ccc(NC(=O)Cc2cccc(Br)c2)nc1
InChIInChI=1S/C17H20BrN3O/c1-3-12(2)20-15-7-8-16(19-11-15)21-17(22)10-13-5-4-6-14(18)9-13/h4-9,11-12,20H,3,10H2,1-2H3,(H,19,21,22)
InChIKeyOJXUYMLSLNHVBF-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.24
Rot. Bonds6

About 2-(3-bromophenyl)-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide

2-(3-bromophenyl)-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide (PubChem CID 113024286) has the molecular formula C17H20BrN3O and a molecular weight of 362.27 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide
PubChem CID113024286
Molecular FormulaC17H20BrN3O
Molecular Weight362.27 g/mol
Exact Mass361.08
IUPAC Name2-(3-bromophenyl)-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide
SMILESCCC(C)Nc1ccc(NC(=O)Cc2cccc(Br)c2)nc1
InChIInChI=1S/C17H20BrN3O/c1-3-12(2)20-15-7-8-16(19-11-15)21-17(22)10-13-5-4-6-14(18)9-13/h4-9,11-12,20H,3,10H2,1-2H3,(H,19,21,22)
InChIKeyOJXUYMLSLNHVBF-UHFFFAOYSA-N
XLogP4.24
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenyl)-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide
CID 113024287
N-[5-(butan-2-ylamino)-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113024277
N-[5-(butan-2-ylamino)-2-pyridinyl]butanamide
CID 113024217
2-amino-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide
CID 82034084
N-[4-(butan-2-ylamino)phenyl]-2-(3-methylphenyl)acetamide
CID 112980500
4-amino-N-[5-(butan-2-ylamino)-2-pyridinyl]butanamide
CID 82034192
N-[6-(3-bromoanilino)-3-pyridinyl]-3-methylbutanamide
CID 113021415
2-phenyl-N-[5-(1-phenylethylamino)-2-pyridinyl]acetamide
CID 113026808
N-[5-(3-bromoanilino)-2-pyridinyl]butanamide
CID 113036004
2-(3-methylphenyl)-N-[5-(propylamino)-2-pyridinyl]acetamide
CID 113023476
N-[5-(butan-2-ylamino)-2-pyridinyl]-2-fluorobenzamide
CID 113024232
2-(3-bromophenyl)-N-[(2R)-pentan-2-yl]acetamide
CID 100699011

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide (CID 113024286) is 2-(3-bromophenyl)-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide is CCC(C)Nc1ccc(NC(=O)Cc2cccc(Br)c2)nc1.
What is the InChIKey of 2-(3-bromophenyl)-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide?
The InChIKey is OJXUYMLSLNHVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O/c1-3-12(2)20-15-7-8-16(19-11-15)21-17(22)10-13-5-4-6-14(18)9-13/h4-9,11-12,20H,3,10H2,1-2H3,(H,19,21,22).
What are the key properties of 2-(3-bromophenyl)-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide?
2-(3-bromophenyl)-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide has a molecular weight of 362.27 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide is sourced from PubChem (CID 113024286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).