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

C17H20BrN3O — CID 113024287

IUPAC2-(2-bromophenyl)-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide
SMILESCCC(C)Nc1ccc(NC(=O)Cc2ccccc2Br)nc1
InChIInChI=1S/C17H20BrN3O/c1-3-12(2)20-14-8-9-16(19-11-14)21-17(22)10-13-6-4-5-7-15(13)18/h4-9,11-12,20H,3,10H2,1-2H3,(H,19,21,22)
InChIKeyYLXGIJJUUXFYAK-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.24
Rot. Bonds6

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

2-(2-bromophenyl)-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide (PubChem CID 113024287) has the molecular formula C17H20BrN3O and a molecular weight of 362.27 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide
PubChem CID113024287
Molecular FormulaC17H20BrN3O
Molecular Weight362.27 g/mol
Exact Mass361.08
IUPAC Name2-(2-bromophenyl)-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide
SMILESCCC(C)Nc1ccc(NC(=O)Cc2ccccc2Br)nc1
InChIInChI=1S/C17H20BrN3O/c1-3-12(2)20-14-8-9-16(19-11-14)21-17(22)10-13-6-4-5-7-15(13)18/h4-9,11-12,20H,3,10H2,1-2H3,(H,19,21,22)
InChIKeyYLXGIJJUUXFYAK-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

N-[5-(butan-2-ylamino)-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113024277
2-(3-bromophenyl)-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide
CID 113024286
2-(2-bromophenyl)-N-[6-(ethylamino)-3-pyridinyl]acetamide
CID 115268604
2-(2-bromophenyl)-N-[5-(4-methylanilino)-2-pyridinyl]acetamide
CID 113031585
N-[5-(benzylamino)-2-pyridinyl]-2-(2-bromophenyl)acetamide
CID 113026424
N-[5-(butan-2-ylamino)-2-pyridinyl]butanamide
CID 113024217
2-amino-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide
CID 82034084
N-[5-(butan-2-ylamino)-2-pyridinyl]-2-fluorobenzamide
CID 113024232
4-amino-N-[5-(butan-2-ylamino)-2-pyridinyl]butanamide
CID 82034192
2-(2-methylphenyl)-N-[5-(2-methylpropylamino)-2-pyridinyl]acetamide
CID 113024145
5-(butan-2-ylamino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109181602
N-[5-(butan-2-ylamino)-2-pyridinyl]pyridine-3-carboxamide
CID 113024266

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide?
The IUPAC name of 2-(2-bromophenyl)-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide (CID 113024287) is 2-(2-bromophenyl)-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(2-bromophenyl)-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide?
The canonical SMILES for 2-(2-bromophenyl)-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide is CCC(C)Nc1ccc(NC(=O)Cc2ccccc2Br)nc1.
What is the InChIKey of 2-(2-bromophenyl)-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide?
The InChIKey is YLXGIJJUUXFYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O/c1-3-12(2)20-14-8-9-16(19-11-14)21-17(22)10-13-6-4-5-7-15(13)18/h4-9,11-12,20H,3,10H2,1-2H3,(H,19,21,22).
What are the key properties of 2-(2-bromophenyl)-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide?
2-(2-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-(2-bromophenyl)-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide is sourced from PubChem (CID 113024287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).