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

C13H19BrN2O — CID 114311647

IUPACN-(1-bromo-4-methylpentan-2-yl)-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NC(CBr)CC(C)C
InChIInChI=1S/C13H19BrN2O/c1-9(2)7-11(8-14)16-13(17)12-10(3)5-4-6-15-12/h4-6,9,11H,7-8H2,1-3H3,(H,16,17)
InChIKeyYFWWQNJILVPAFX-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.93
Rot. Bonds5

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

N-(1-bromo-4-methylpentan-2-yl)-3-methylpyridine-2-carboxamide (PubChem CID 114311647) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is N-(1-bromo-4-methylpentan-2-yl)-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-bromo-4-methylpentan-2-yl)-3-methylpyridine-2-carboxamide
PubChem CID114311647
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC NameN-(1-bromo-4-methylpentan-2-yl)-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NC(CBr)CC(C)C
InChIInChI=1S/C13H19BrN2O/c1-9(2)7-11(8-14)16-13(17)12-10(3)5-4-6-15-12/h4-6,9,11H,7-8H2,1-3H3,(H,16,17)
InChIKeyYFWWQNJILVPAFX-UHFFFAOYSA-N
XLogP2.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-methyl-2-[(3-methylpyridine-2-carbonyl)amino]pentanoate
CID 62338800
N-(1-hydroxypropan-2-yl)-3-methylpyridine-2-carboxamide
CID 62341368
N-(1-aminoethyl)-3-methylpyridine-2-carboxamide
CID 173067121
N-[(2S)-1-hydroxybutan-2-yl]-3-methylpyridine-2-carboxamide
CID 104981219
N-(4-hydroxybutan-2-yl)-3-methylpyridine-2-carboxamide
CID 115283439
N-(2-chloro-4-methylpentyl)-3-methylpyridine-2-carboxamide
CID 107157408
N-(4-aminobutan-2-yl)-3-methylpyridine-2-carboxamide
CID 62340960
(2S)-4-methyl-2-[[2-[(3-methylpyridine-2-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120695622
N-(3-bromopropyl)-3-methylpyridine-2-carboxamide
CID 62338959
(2R)-3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
CID 79011144
N-(4-bromobutyl)-3-methylpyridine-2-carboxamide
CID 106845669
N-(1-amino-1-sulfanylidenepropan-2-yl)-3-methylpyridine-2-carboxamide
CID 62339475

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-4-methylpentan-2-yl)-3-methylpyridine-2-carboxamide?
The IUPAC name of N-(1-bromo-4-methylpentan-2-yl)-3-methylpyridine-2-carboxamide (CID 114311647) is N-(1-bromo-4-methylpentan-2-yl)-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(1-bromo-4-methylpentan-2-yl)-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-(1-bromo-4-methylpentan-2-yl)-3-methylpyridine-2-carboxamide is Cc1cccnc1C(=O)NC(CBr)CC(C)C.
What is the InChIKey of N-(1-bromo-4-methylpentan-2-yl)-3-methylpyridine-2-carboxamide?
The InChIKey is YFWWQNJILVPAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-9(2)7-11(8-14)16-13(17)12-10(3)5-4-6-15-12/h4-6,9,11H,7-8H2,1-3H3,(H,16,17).
What are the key properties of N-(1-bromo-4-methylpentan-2-yl)-3-methylpyridine-2-carboxamide?
N-(1-bromo-4-methylpentan-2-yl)-3-methylpyridine-2-carboxamide has a molecular weight of 299.21 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-4-methylpentan-2-yl)-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 114311647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).