5-bromo-2-methyl-6-oxo-N-[1-(2-phenylpropan-2-yl)cyclopropyl]-1H-pyridine-3-carboxamide

C19H21BrN2O2 — CID 138007734

IUPAC5-bromo-2-methyl-6-oxo-N-[1-(2-phenylpropan-2-yl)cyclopropyl]-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)c(Br)cc1C(=O)NC1(C(C)(C)c2ccccc2)CC1
InChIInChI=1S/C19H21BrN2O2/c1-12-14(11-15(20)17(24)21-12)16(23)22-19(9-10-19)18(2,3)13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H,21,24)(H,22,23)
InChIKeySTMHVRIMBZCTOX-UHFFFAOYSA-N
MW389.29 g/mol
LogP3.69
Rot. Bonds4

About 5-bromo-2-methyl-6-oxo-N-[1-(2-phenylpropan-2-yl)cyclopropyl]-1H-pyridine-3-carboxamide

5-bromo-2-methyl-6-oxo-N-[1-(2-phenylpropan-2-yl)cyclopropyl]-1H-pyridine-3-carboxamide (PubChem CID 138007734) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 5-bromo-2-methyl-6-oxo-N-[1-(2-phenylpropan-2-yl)cyclopropyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-methyl-6-oxo-N-[1-(2-phenylpropan-2-yl)cyclopropyl]-1H-pyridine-3-carboxamide
PubChem CID138007734
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name5-bromo-2-methyl-6-oxo-N-[1-(2-phenylpropan-2-yl)cyclopropyl]-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)c(Br)cc1C(=O)NC1(C(C)(C)c2ccccc2)CC1
InChIInChI=1S/C19H21BrN2O2/c1-12-14(11-15(20)17(24)21-12)16(23)22-19(9-10-19)18(2,3)13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H,21,24)(H,22,23)
InChIKeySTMHVRIMBZCTOX-UHFFFAOYSA-N
XLogP3.69
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[1-(2-phenylpropan-2-yl)cyclopropyl]carbamoylamino]propanoic acid
CID 122018781
N-methyl-1-(2-phenylpropan-2-yl)cyclopropan-1-amine
CID 83684635
2-methyl-2-[1-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutyl]propanoic acid
CID 167754640
5-bromo-N-cyclopropyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 129393053
3-bromo-5,6-dimethyl-1H-pyridin-2-one
CID 50944339
[5-methyl-1-(2-phenylpropan-2-yl)cyclohexa-2,4-dien-1-yl]urea
CID 139710200
2-bromo-5-iodo-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106547554
2-bromo-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide
CID 95368019
2-[ethyl-[3-[[1-(2-phenylpropan-2-yl)cyclopropyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122026419
5-iodo-6-methyl-2-oxo-N-phenyl-1H-pyridine-3-carboxamide
CID 125490765
5-amino-2,4-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106208292
N-(2-ethyl-2-hydroxybutyl)-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide
CID 111825632

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-6-oxo-N-[1-(2-phenylpropan-2-yl)cyclopropyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-methyl-6-oxo-N-[1-(2-phenylpropan-2-yl)cyclopropyl]-1H-pyridine-3-carboxamide (CID 138007734) is 5-bromo-2-methyl-6-oxo-N-[1-(2-phenylpropan-2-yl)cyclopropyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-methyl-6-oxo-N-[1-(2-phenylpropan-2-yl)cyclopropyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-methyl-6-oxo-N-[1-(2-phenylpropan-2-yl)cyclopropyl]-1H-pyridine-3-carboxamide is Cc1[nH]c(=O)c(Br)cc1C(=O)NC1(C(C)(C)c2ccccc2)CC1.
What is the InChIKey of 5-bromo-2-methyl-6-oxo-N-[1-(2-phenylpropan-2-yl)cyclopropyl]-1H-pyridine-3-carboxamide?
The InChIKey is STMHVRIMBZCTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-12-14(11-15(20)17(24)21-12)16(23)22-19(9-10-19)18(2,3)13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 5-bromo-2-methyl-6-oxo-N-[1-(2-phenylpropan-2-yl)cyclopropyl]-1H-pyridine-3-carboxamide?
5-bromo-2-methyl-6-oxo-N-[1-(2-phenylpropan-2-yl)cyclopropyl]-1H-pyridine-3-carboxamide has a molecular weight of 389.29 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-6-oxo-N-[1-(2-phenylpropan-2-yl)cyclopropyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 138007734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).