N-[(2-bromophenyl)methyl]-N-methyl-3-(pyridin-3-ylcarbamoylamino)propanamide

C17H19BrN4O2 — CID 126804326

IUPACN-[(2-bromophenyl)methyl]-N-methyl-3-(pyridin-3-ylcarbamoylamino)propanamide
SMILESCN(Cc1ccccc1Br)C(=O)CCNC(=O)Nc1cccnc1
InChIInChI=1S/C17H19BrN4O2/c1-22(12-13-5-2-3-7-15(13)18)16(23)8-10-20-17(24)21-14-6-4-9-19-11-14/h2-7,9,11H,8,10,12H2,1H3,(H2,20,21,24)
InChIKeyFUCKMLLZJMWJQU-UHFFFAOYSA-N
MW391.27 g/mol
LogP3.01
Rot. Bonds6

About N-[(2-bromophenyl)methyl]-N-methyl-3-(pyridin-3-ylcarbamoylamino)propanamide

N-[(2-bromophenyl)methyl]-N-methyl-3-(pyridin-3-ylcarbamoylamino)propanamide (PubChem CID 126804326) has the molecular formula C17H19BrN4O2 and a molecular weight of 391.27 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-methyl-3-(pyridin-3-ylcarbamoylamino)propanamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-methyl-3-(pyridin-3-ylcarbamoylamino)propanamide
PubChem CID126804326
Molecular FormulaC17H19BrN4O2
Molecular Weight391.27 g/mol
Exact Mass390.07
IUPAC NameN-[(2-bromophenyl)methyl]-N-methyl-3-(pyridin-3-ylcarbamoylamino)propanamide
SMILESCN(Cc1ccccc1Br)C(=O)CCNC(=O)Nc1cccnc1
InChIInChI=1S/C17H19BrN4O2/c1-22(12-13-5-2-3-7-15(13)18)16(23)8-10-20-17(24)21-14-6-4-9-19-11-14/h2-7,9,11H,8,10,12H2,1H3,(H2,20,21,24)
InChIKeyFUCKMLLZJMWJQU-UHFFFAOYSA-N
XLogP3.01
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-3-(pyridin-3-ylcarbamoylamino)propanamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-3-(pyridin-3-ylcarbamoylamino)propanamide (CID 126804326) is N-[(2-bromophenyl)methyl]-N-methyl-3-(pyridin-3-ylcarbamoylamino)propanamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-methyl-3-(pyridin-3-ylcarbamoylamino)propanamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-methyl-3-(pyridin-3-ylcarbamoylamino)propanamide is CN(Cc1ccccc1Br)C(=O)CCNC(=O)Nc1cccnc1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-methyl-3-(pyridin-3-ylcarbamoylamino)propanamide?
The InChIKey is FUCKMLLZJMWJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O2/c1-22(12-13-5-2-3-7-15(13)18)16(23)8-10-20-17(24)21-14-6-4-9-19-11-14/h2-7,9,11H,8,10,12H2,1H3,(H2,20,21,24).
What are the key properties of N-[(2-bromophenyl)methyl]-N-methyl-3-(pyridin-3-ylcarbamoylamino)propanamide?
N-[(2-bromophenyl)methyl]-N-methyl-3-(pyridin-3-ylcarbamoylamino)propanamide has a molecular weight of 391.27 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N-methyl-3-(pyridin-3-ylcarbamoylamino)propanamide is sourced from PubChem (CID 126804326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).