N-[5-(3-bromoanilino)-2-pyridinyl]butanamide

C15H16BrN3O — CID 113036004

IUPACN-[5-(3-bromoanilino)-2-pyridinyl]butanamide
SMILESCCCC(=O)Nc1ccc(Nc2cccc(Br)c2)cn1
InChIInChI=1S/C15H16BrN3O/c1-2-4-15(20)19-14-8-7-13(10-17-14)18-12-6-3-5-11(16)9-12/h3,5-10,18H,2,4H2,1H3,(H,17,19,20)
InChIKeyVLOZXKALWFIWOV-UHFFFAOYSA-N
MW334.22 g/mol
LogP4.33
Rot. Bonds5

About N-[5-(3-bromoanilino)-2-pyridinyl]butanamide

N-[5-(3-bromoanilino)-2-pyridinyl]butanamide (PubChem CID 113036004) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is N-[5-(3-bromoanilino)-2-pyridinyl]butanamide.

Molecular Properties

Compound NameN-[5-(3-bromoanilino)-2-pyridinyl]butanamide
PubChem CID113036004
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC NameN-[5-(3-bromoanilino)-2-pyridinyl]butanamide
SMILESCCCC(=O)Nc1ccc(Nc2cccc(Br)c2)cn1
InChIInChI=1S/C15H16BrN3O/c1-2-4-15(20)19-14-8-7-13(10-17-14)18-12-6-3-5-11(16)9-12/h3,5-10,18H,2,4H2,1H3,(H,17,19,20)
InChIKeyVLOZXKALWFIWOV-UHFFFAOYSA-N
XLogP4.33
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[5-(3-bromoanilino)-2-pyridinyl]carbamate
CID 113036036
N-[6-(3-methylanilino)-3-pyridinyl]butanamide
CID 113016196
N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]butanamide
CID 113033607
N-(5-anilino-2-pyridinyl)pentanamide
CID 113031172
N-[6-(3-bromoanilino)-3-pyridinyl]-3-methylbutanamide
CID 113021415
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]butanamide
CID 113036130
N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]butanamide
CID 113032871
5-(3-bromoanilino)-N-pentylpyridine-2-carboxamide
CID 109195790
5-(3-bromoanilino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109198518
N-[5-(butan-2-ylamino)-2-pyridinyl]butanamide
CID 113024217
N-[6-(butanoylamino)-3-pyridinyl]-2,2-dimethylpropanamide
CID 1452758
2-(3-bromophenyl)-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide
CID 113024286

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-bromoanilino)-2-pyridinyl]butanamide?
The IUPAC name of N-[5-(3-bromoanilino)-2-pyridinyl]butanamide (CID 113036004) is N-[5-(3-bromoanilino)-2-pyridinyl]butanamide.
What is the SMILES notation for N-[5-(3-bromoanilino)-2-pyridinyl]butanamide?
The canonical SMILES for N-[5-(3-bromoanilino)-2-pyridinyl]butanamide is CCCC(=O)Nc1ccc(Nc2cccc(Br)c2)cn1.
What is the InChIKey of N-[5-(3-bromoanilino)-2-pyridinyl]butanamide?
The InChIKey is VLOZXKALWFIWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-2-4-15(20)19-14-8-7-13(10-17-14)18-12-6-3-5-11(16)9-12/h3,5-10,18H,2,4H2,1H3,(H,17,19,20).
What are the key properties of N-[5-(3-bromoanilino)-2-pyridinyl]butanamide?
N-[5-(3-bromoanilino)-2-pyridinyl]butanamide has a molecular weight of 334.22 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-bromoanilino)-2-pyridinyl]butanamide is sourced from PubChem (CID 113036004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).