N-[6-(3-bromoanilino)-3-pyridinyl]-3-methylbutanamide

C16H18BrN3O — CID 113021415

IUPACN-[6-(3-bromoanilino)-3-pyridinyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(Nc2cccc(Br)c2)nc1
InChIInChI=1S/C16H18BrN3O/c1-11(2)8-16(21)20-14-6-7-15(18-10-14)19-13-5-3-4-12(17)9-13/h3-7,9-11H,8H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyJSVNXYADFMDLAN-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.57
Rot. Bonds5

About N-[6-(3-bromoanilino)-3-pyridinyl]-3-methylbutanamide

N-[6-(3-bromoanilino)-3-pyridinyl]-3-methylbutanamide (PubChem CID 113021415) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is N-[6-(3-bromoanilino)-3-pyridinyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[6-(3-bromoanilino)-3-pyridinyl]-3-methylbutanamide
PubChem CID113021415
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC NameN-[6-(3-bromoanilino)-3-pyridinyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(Nc2cccc(Br)c2)nc1
InChIInChI=1S/C16H18BrN3O/c1-11(2)8-16(21)20-14-6-7-15(18-10-14)19-13-5-3-4-12(17)9-13/h3-7,9-11H,8H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyJSVNXYADFMDLAN-UHFFFAOYSA-N
XLogP4.57
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(3-bromoanilino)-2-pyridinyl]butanamide
CID 113036004
N-[6-(4-ethoxyanilino)-3-pyridinyl]-3-methylbutanamide
CID 113019664
3-methyl-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]butanamide
CID 113017723
3-methyl-N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]butanamide
CID 113018002
N-[6-(3-methylanilino)-3-pyridinyl]-3-oxobutanamide
CID 110179055
3-methyl-N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]butanamide
CID 113021236
N-[6-(3-methylanilino)-3-pyridinyl]butanamide
CID 113016196
3-methyl-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]butanamide
CID 113019825
2-methyl-N-[6-(3-methylanilino)-3-pyridinyl]propanamide
CID 113016197
N-[5-(2,6-dichloroanilino)-2-pyridinyl]-3-methylbutanamide
CID 113036821
ethyl N-[5-(3-bromoanilino)-2-pyridinyl]carbamate
CID 113036036
5-bromo-N-(3-bromophenyl)pyridin-2-amine
CID 61375271

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-bromoanilino)-3-pyridinyl]-3-methylbutanamide?
The IUPAC name of N-[6-(3-bromoanilino)-3-pyridinyl]-3-methylbutanamide (CID 113021415) is N-[6-(3-bromoanilino)-3-pyridinyl]-3-methylbutanamide.
What is the SMILES notation for N-[6-(3-bromoanilino)-3-pyridinyl]-3-methylbutanamide?
The canonical SMILES for N-[6-(3-bromoanilino)-3-pyridinyl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccc(Nc2cccc(Br)c2)nc1.
What is the InChIKey of N-[6-(3-bromoanilino)-3-pyridinyl]-3-methylbutanamide?
The InChIKey is JSVNXYADFMDLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-11(2)8-16(21)20-14-6-7-15(18-10-14)19-13-5-3-4-12(17)9-13/h3-7,9-11H,8H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of N-[6-(3-bromoanilino)-3-pyridinyl]-3-methylbutanamide?
N-[6-(3-bromoanilino)-3-pyridinyl]-3-methylbutanamide has a molecular weight of 348.24 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-bromoanilino)-3-pyridinyl]-3-methylbutanamide is sourced from PubChem (CID 113021415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).