5-bromo-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide

C18H18BrN3O2 — CID 33352211

IUPAC5-bromo-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCNC(=O)c1ccc(CN(C(=O)c2cncc(Br)c2)C2CC2)cc1
InChIInChI=1S/C18H18BrN3O2/c1-20-17(23)13-4-2-12(3-5-13)11-22(16-6-7-16)18(24)14-8-15(19)10-21-9-14/h2-5,8-10,16H,6-7,11H2,1H3,(H,20,23)
InChIKeySKZJPNDINWIGPH-UHFFFAOYSA-N
MW388.27 g/mol
LogP3.01
Rot. Bonds5

About 5-bromo-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide

5-bromo-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 33352211) has the molecular formula C18H18BrN3O2 and a molecular weight of 388.27 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID33352211
Molecular FormulaC18H18BrN3O2
Molecular Weight388.27 g/mol
Exact Mass387.06
IUPAC Name5-bromo-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCNC(=O)c1ccc(CN(C(=O)c2cncc(Br)c2)C2CC2)cc1
InChIInChI=1S/C18H18BrN3O2/c1-20-17(23)13-4-2-12(3-5-13)11-22(16-6-7-16)18(24)14-8-15(19)10-21-9-14/h2-5,8-10,16H,6-7,11H2,1H3,(H,20,23)
InChIKeySKZJPNDINWIGPH-UHFFFAOYSA-N
XLogP3.01
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-cyclohexyl-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 8834530
4-[[benzoyl(cyclopropyl)amino]methyl]-N-methylbenzamide
CID 33351912
5-bromo-2-chloro-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 33352305
N-cyclopropyl-3,4,5-triethoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 33351847
4-[[cyclopropyl-(4-methylsulfonylbenzoyl)amino]methyl]-N-methylbenzamide
CID 33351444
4-chloro-N-cyclopropyl-3-iodo-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 39881157
N-cyclopropyl-5-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 33351813
4-[[cyclopropyl-[4-(trifluoromethylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide
CID 37154016
N-cyclopropyl-3,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 39881162
4-[[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]-cyclopropylamino]methyl]-N-methylbenzamide
CID 34181015
N-cyclopropyl-4-(difluoromethoxy)-3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 33349377
4-[[[2-(4-bromo-2-fluorophenoxy)acetyl]-cyclopropylamino]methyl]-N-methylbenzamide
CID 30797391

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide (CID 33352211) is 5-bromo-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide is CNC(=O)c1ccc(CN(C(=O)c2cncc(Br)c2)C2CC2)cc1.
What is the InChIKey of 5-bromo-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is SKZJPNDINWIGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O2/c1-20-17(23)13-4-2-12(3-5-13)11-22(16-6-7-16)18(24)14-8-15(19)10-21-9-14/h2-5,8-10,16H,6-7,11H2,1H3,(H,20,23).
What are the key properties of 5-bromo-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide?
5-bromo-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 388.27 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 33352211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).