5-(4-bromophenyl)-N-methyl-5-oxo-N-(1-pyridin-4-ylethyl)pentanamide

C19H21BrN2O2 — CID 119035965

IUPAC5-(4-bromophenyl)-N-methyl-5-oxo-N-(1-pyridin-4-ylethyl)pentanamide
SMILESCC(c1ccncc1)N(C)C(=O)CCCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C19H21BrN2O2/c1-14(15-10-12-21-13-11-15)22(2)19(24)5-3-4-18(23)16-6-8-17(20)9-7-16/h6-14H,3-5H2,1-2H3
InChIKeyNOALXLZSFYDQKU-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.42
Rot. Bonds7

About 5-(4-bromophenyl)-N-methyl-5-oxo-N-(1-pyridin-4-ylethyl)pentanamide

5-(4-bromophenyl)-N-methyl-5-oxo-N-(1-pyridin-4-ylethyl)pentanamide (PubChem CID 119035965) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-methyl-5-oxo-N-(1-pyridin-4-ylethyl)pentanamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-methyl-5-oxo-N-(1-pyridin-4-ylethyl)pentanamide
PubChem CID119035965
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name5-(4-bromophenyl)-N-methyl-5-oxo-N-(1-pyridin-4-ylethyl)pentanamide
SMILESCC(c1ccncc1)N(C)C(=O)CCCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C19H21BrN2O2/c1-14(15-10-12-21-13-11-15)22(2)19(24)5-3-4-18(23)16-6-8-17(20)9-7-16/h6-14H,3-5H2,1-2H3
InChIKeyNOALXLZSFYDQKU-UHFFFAOYSA-N
XLogP4.42
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 60962964
N-[1-(4-bromophenyl)ethyl]-N-methylbutanamide
CID 166191857
7-(4-methoxyphenyl)-N-methyl-7-oxo-N-[(1S)-1-phenylethyl]heptanamide
CID 99792882
N-methyl-4-phenylmethoxy-N-[(1S)-1-pyridin-4-ylethyl]butanamide
CID 94347343
N-methyl-2-(propan-2-ylamino)-N-(1-pyridin-4-ylethyl)acetamide
CID 54874161
1-[4-(4-bromophenyl)phenyl]-4-(dimethylamino)butan-1-one chloride
CID 57388918
1-(4-bromophenyl)-4-fluorobutan-1-one
CID 67476935
1-(4-bromophenyl)pentan-1-one;2-fluoropropane
CID 143849337
[3-(4-bromophenyl)-3-oxopropyl]-propan-2-ylazanium chloride
CID 139082701
4-[bis(2-methylpropyl)amino]-1-(4-bromophenyl)butan-1-one
CID 63567345
3,5-dibromo-4-hydroxy-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 97326605
3-amino-4-bromo-N-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 61116655

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-methyl-5-oxo-N-(1-pyridin-4-ylethyl)pentanamide?
The IUPAC name of 5-(4-bromophenyl)-N-methyl-5-oxo-N-(1-pyridin-4-ylethyl)pentanamide (CID 119035965) is 5-(4-bromophenyl)-N-methyl-5-oxo-N-(1-pyridin-4-ylethyl)pentanamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-methyl-5-oxo-N-(1-pyridin-4-ylethyl)pentanamide?
The canonical SMILES for 5-(4-bromophenyl)-N-methyl-5-oxo-N-(1-pyridin-4-ylethyl)pentanamide is CC(c1ccncc1)N(C)C(=O)CCCC(=O)c1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-N-methyl-5-oxo-N-(1-pyridin-4-ylethyl)pentanamide?
The InChIKey is NOALXLZSFYDQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-14(15-10-12-21-13-11-15)22(2)19(24)5-3-4-18(23)16-6-8-17(20)9-7-16/h6-14H,3-5H2,1-2H3.
What are the key properties of 5-(4-bromophenyl)-N-methyl-5-oxo-N-(1-pyridin-4-ylethyl)pentanamide?
5-(4-bromophenyl)-N-methyl-5-oxo-N-(1-pyridin-4-ylethyl)pentanamide has a molecular weight of 389.29 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-methyl-5-oxo-N-(1-pyridin-4-ylethyl)pentanamide is sourced from PubChem (CID 119035965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).