2-bromo-N-(2-methylpropyl)-N-propan-2-ylpyridine-4-carboxamide

C13H19BrN2O — CID 103755064

IUPAC2-bromo-N-(2-methylpropyl)-N-propan-2-ylpyridine-4-carboxamide
SMILESCC(C)CN(C(=O)c1ccnc(Br)c1)C(C)C
InChIInChI=1S/C13H19BrN2O/c1-9(2)8-16(10(3)4)13(17)11-5-6-15-12(14)7-11/h5-7,9-10H,8H2,1-4H3
InChIKeyKHIBBIYNNBEETD-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.35
Rot. Bonds4

About 2-bromo-N-(2-methylpropyl)-N-propan-2-ylpyridine-4-carboxamide

2-bromo-N-(2-methylpropyl)-N-propan-2-ylpyridine-4-carboxamide (PubChem CID 103755064) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-bromo-N-(2-methylpropyl)-N-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2-methylpropyl)-N-propan-2-ylpyridine-4-carboxamide
PubChem CID103755064
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name2-bromo-N-(2-methylpropyl)-N-propan-2-ylpyridine-4-carboxamide
SMILESCC(C)CN(C(=O)c1ccnc(Br)c1)C(C)C
InChIInChI=1S/C13H19BrN2O/c1-9(2)8-16(10(3)4)13(17)11-5-6-15-12(14)7-11/h5-7,9-10H,8H2,1-4H3
InChIKeyKHIBBIYNNBEETD-UHFFFAOYSA-N
XLogP3.35
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[2-methylpropyl(propan-2-yl)carbamoyl]pyridine-4-carboxylic acid
CID 122055270
2-bromo-N-butan-2-yl-N-butylpyridine-4-carboxamide
CID 103755268
methyl 3-[(2-bromopyridine-4-carbonyl)-(2-methylpropyl)amino]propanoate
CID 103752528
3-hydroxy-N-(2-methylpropyl)-N-propan-2-ylbenzamide
CID 55000398
2-amino-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide
CID 79501668
N-(2-methylpropyl)-N-propan-2-yl-2,1,3-benzoxadiazole-5-carboxamide
CID 23588517
2-bromo-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 113255509
3-hydroxy-4-iodo-N-(2-methylpropyl)-N-propan-2-ylbenzamide
CID 113434719
2-bromo-N-(1-cyclopropylethyl)-N-methylpyridine-4-carboxamide
CID 103752379
2-bromo-N-methyl-N-prop-2-enylpyridine-4-carboxamide
CID 104952950
2-bromo-N-cyclopropyl-N-methylpyridine-4-carboxamide
CID 103752625
2-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridine-4-carboxamide
CID 103867282

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methylpropyl)-N-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-(2-methylpropyl)-N-propan-2-ylpyridine-4-carboxamide (CID 103755064) is 2-bromo-N-(2-methylpropyl)-N-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-(2-methylpropyl)-N-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-(2-methylpropyl)-N-propan-2-ylpyridine-4-carboxamide is CC(C)CN(C(=O)c1ccnc(Br)c1)C(C)C.
What is the InChIKey of 2-bromo-N-(2-methylpropyl)-N-propan-2-ylpyridine-4-carboxamide?
The InChIKey is KHIBBIYNNBEETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-9(2)8-16(10(3)4)13(17)11-5-6-15-12(14)7-11/h5-7,9-10H,8H2,1-4H3.
What are the key properties of 2-bromo-N-(2-methylpropyl)-N-propan-2-ylpyridine-4-carboxamide?
2-bromo-N-(2-methylpropyl)-N-propan-2-ylpyridine-4-carboxamide has a molecular weight of 299.21 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methylpropyl)-N-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 103755064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).