N-(1-bromo-4-methylpentan-2-yl)-3-methoxypyridine-4-carboxamide

C13H19BrN2O2 — CID 105064559

IUPACN-(1-bromo-4-methylpentan-2-yl)-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)NC(CBr)CC(C)C
InChIInChI=1S/C13H19BrN2O2/c1-9(2)6-10(7-14)16-13(17)11-4-5-15-8-12(11)18-3/h4-5,8-10H,6-7H2,1-3H3,(H,16,17)
InChIKeyPDACJAJTNBEROD-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.63
Rot. Bonds6

About N-(1-bromo-4-methylpentan-2-yl)-3-methoxypyridine-4-carboxamide

N-(1-bromo-4-methylpentan-2-yl)-3-methoxypyridine-4-carboxamide (PubChem CID 105064559) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is N-(1-bromo-4-methylpentan-2-yl)-3-methoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-bromo-4-methylpentan-2-yl)-3-methoxypyridine-4-carboxamide
PubChem CID105064559
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC NameN-(1-bromo-4-methylpentan-2-yl)-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)NC(CBr)CC(C)C
InChIInChI=1S/C13H19BrN2O2/c1-9(2)6-10(7-14)16-13(17)11-4-5-15-8-12(11)18-3/h4-5,8-10H,6-7H2,1-3H3,(H,16,17)
InChIKeyPDACJAJTNBEROD-UHFFFAOYSA-N
XLogP2.63
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-4-methylpentanoic acid
CID 105063148
3-[(3-methoxypyridine-4-carbonyl)amino]pentanoic acid
CID 105063292
N-(1-chloropropan-2-yl)-3-methoxypyridine-4-carboxamide
CID 105064527
3-methoxy-N-(2-methylpropyl)pyridine-4-carboxamide
CID 105063807
N-(1-chloro-3-methoxypropan-2-yl)-3-methoxypyridine-4-carboxamide
CID 106182637
3-methoxy-N-(3-oxopentan-2-yl)pyridine-4-carboxamide
CID 105063550
N-(1-chloropentan-3-yl)-3-methoxypyridine-4-carboxamide
CID 105064609
N-(3-bromobutyl)-3-methoxypyridine-4-carboxamide
CID 105064561
3-[(3-methoxypyridine-4-carbonyl)amino]-5,5-dimethylhexanoic acid
CID 105063310
N-(2-bromo-3-methylbutyl)-3-methoxypyridine-4-carboxamide
CID 105064608
N-(1-bromo-4-methylpentan-2-yl)-3,4-dimethoxybenzamide
CID 114311669
4-amino-2-[(3-methoxypyridine-4-carbonyl)amino]-4-oxobutanoic acid
CID 105063070

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-4-methylpentan-2-yl)-3-methoxypyridine-4-carboxamide?
The IUPAC name of N-(1-bromo-4-methylpentan-2-yl)-3-methoxypyridine-4-carboxamide (CID 105064559) is N-(1-bromo-4-methylpentan-2-yl)-3-methoxypyridine-4-carboxamide.
What is the SMILES notation for N-(1-bromo-4-methylpentan-2-yl)-3-methoxypyridine-4-carboxamide?
The canonical SMILES for N-(1-bromo-4-methylpentan-2-yl)-3-methoxypyridine-4-carboxamide is COc1cnccc1C(=O)NC(CBr)CC(C)C.
What is the InChIKey of N-(1-bromo-4-methylpentan-2-yl)-3-methoxypyridine-4-carboxamide?
The InChIKey is PDACJAJTNBEROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-9(2)6-10(7-14)16-13(17)11-4-5-15-8-12(11)18-3/h4-5,8-10H,6-7H2,1-3H3,(H,16,17).
What are the key properties of N-(1-bromo-4-methylpentan-2-yl)-3-methoxypyridine-4-carboxamide?
N-(1-bromo-4-methylpentan-2-yl)-3-methoxypyridine-4-carboxamide has a molecular weight of 315.21 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-4-methylpentan-2-yl)-3-methoxypyridine-4-carboxamide is sourced from PubChem (CID 105064559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).