5-bromo-N-[[(1R,2S)-2-methylcyclopropyl]methyl]-6-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide

C14H19BrN2O2 — CID 96510260

IUPAC5-bromo-N-[[(1R,2S)-2-methylcyclopropyl]methyl]-6-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide
SMILESCC(C)N(C[C@@H]1C[C@@H]1C)C(=O)c1c[nH]c(=O)c(Br)c1
InChIInChI=1S/C14H19BrN2O2/c1-8(2)17(7-11-4-9(11)3)14(19)10-5-12(15)13(18)16-6-10/h5-6,8-9,11H,4,7H2,1-3H3,(H,16,18)/t9-,11-/m0/s1
InChIKeyVRXCKQBUXWQZBS-ONGXEEELSA-N
MW327.22 g/mol
LogP2.64
Rot. Bonds4

About 5-bromo-N-[[(1R,2S)-2-methylcyclopropyl]methyl]-6-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide

5-bromo-N-[[(1R,2S)-2-methylcyclopropyl]methyl]-6-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide (PubChem CID 96510260) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 5-bromo-N-[[(1R,2S)-2-methylcyclopropyl]methyl]-6-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[[(1R,2S)-2-methylcyclopropyl]methyl]-6-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide
PubChem CID96510260
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name5-bromo-N-[[(1R,2S)-2-methylcyclopropyl]methyl]-6-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide
SMILESCC(C)N(C[C@@H]1C[C@@H]1C)C(=O)c1c[nH]c(=O)c(Br)c1
InChIInChI=1S/C14H19BrN2O2/c1-8(2)17(7-11-4-9(11)3)14(19)10-5-12(15)13(18)16-6-10/h5-6,8-9,11H,4,7H2,1-3H3,(H,16,18)/t9-,11-/m0/s1
InChIKeyVRXCKQBUXWQZBS-ONGXEEELSA-N
XLogP2.64
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-N-[[(1R,2S)-2-methylcyclopropyl]methyl]-6-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

(2R)-3-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)-cyclopropylamino]-2-methylpropanoic acid
CID 124688962
2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)-methylamino]propanoic acid
CID 119208771
3,5-dibromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide
CID 103907777
N-(3-amino-4-methylpentyl)-5-bromo-N-methyl-6-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119660821
3-ethyl-N-[[(1S,2S)-2-methylcyclopropyl]methyl]-4-oxo-N-propan-2-yl-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 99811606
3-(cyanomethylsulfanyl)-N-[[(1S,2R)-2-methylcyclopropyl]methyl]-N-propan-2-ylbenzamide
CID 96558987
5-bromo-N-[(2R)-2-(ethylamino)propyl]-6-oxo-1H-pyridine-3-carboxamide
CID 120654785
N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 119656479
(2S)-2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 103790965
3-bromo-4-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 107990652
3-bromo-N-(cyclopropylmethyl)-4-methoxy-N-propan-2-ylbenzamide
CID 54942821
1-[[(1S,2R)-2-methylcyclopropyl]methyl]-1-propan-2-yl-3-prop-2-ynylurea
CID 95782080

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[(1R,2S)-2-methylcyclopropyl]methyl]-6-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[[(1R,2S)-2-methylcyclopropyl]methyl]-6-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide (CID 96510260) is 5-bromo-N-[[(1R,2S)-2-methylcyclopropyl]methyl]-6-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[[(1R,2S)-2-methylcyclopropyl]methyl]-6-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[[(1R,2S)-2-methylcyclopropyl]methyl]-6-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide is CC(C)N(C[C@@H]1C[C@@H]1C)C(=O)c1c[nH]c(=O)c(Br)c1.
What is the InChIKey of 5-bromo-N-[[(1R,2S)-2-methylcyclopropyl]methyl]-6-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide?
The InChIKey is VRXCKQBUXWQZBS-ONGXEEELSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-8(2)17(7-11-4-9(11)3)14(19)10-5-12(15)13(18)16-6-10/h5-6,8-9,11H,4,7H2,1-3H3,(H,16,18)/t9-,11-/m0/s1.
What are the key properties of 5-bromo-N-[[(1R,2S)-2-methylcyclopropyl]methyl]-6-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide?
5-bromo-N-[[(1R,2S)-2-methylcyclopropyl]methyl]-6-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide has a molecular weight of 327.22 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[(1R,2S)-2-methylcyclopropyl]methyl]-6-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 96510260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).