N-(1-bromopropan-2-yl)-3-methylpyridine-4-carboxamide

C10H13BrN2O — CID 126977624

IUPACN-(1-bromopropan-2-yl)-3-methylpyridine-4-carboxamide
SMILESCc1cnccc1C(=O)NC(C)CBr
InChIInChI=1S/C10H13BrN2O/c1-7-6-12-4-3-9(7)10(14)13-8(2)5-11/h3-4,6,8H,5H2,1-2H3,(H,13,14)
InChIKeyGVRDJJHWOMERIX-UHFFFAOYSA-N
MW257.13 g/mol
LogP1.90
Rot. Bonds3

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

N-(1-bromopropan-2-yl)-3-methylpyridine-4-carboxamide (PubChem CID 126977624) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-3-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-3-methylpyridine-4-carboxamide
PubChem CID126977624
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC NameN-(1-bromopropan-2-yl)-3-methylpyridine-4-carboxamide
SMILESCc1cnccc1C(=O)NC(C)CBr
InChIInChI=1S/C10H13BrN2O/c1-7-6-12-4-3-9(7)10(14)13-8(2)5-11/h3-4,6,8H,5H2,1-2H3,(H,13,14)
InChIKeyGVRDJJHWOMERIX-UHFFFAOYSA-N
XLogP1.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 51.90
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

N-[1-(diethylamino)propan-2-yl]-3-fluoropyridine-4-carboxamide
CID 115646514
N-(5-bromopentan-2-yl)-3-fluoropyridine-4-carboxamide
CID 114316575
N-(1-bromopropan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 114310722
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyridine-4-carboxamide
CID 66483785
3-chloro-N-[1-(dimethylamino)propan-2-yl]pyridine-4-carboxamide
CID 82939115
N-[1-(dimethylamino)propan-2-yl]-4-(methylamino)pyridine-3-carboxamide
CID 82949883
4-amino-N-[1-(dimethylamino)propan-2-yl]pyridine-3-carboxamide
CID 82950592
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-bromopyridine-4-carboxamide
CID 131186254
N-[1-(dimethylamino)propan-2-yl]-3-hydrazinylpyridine-4-carboxamide
CID 105072402
4-[(3-hydroxypyridine-4-carbonyl)amino]pentanoic acid
CID 81445787
3-amino-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide
CID 105071212
N-(1-bromo-4-methylpentan-2-yl)-3-methoxypyridine-4-carboxamide
CID 105064559

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-3-methylpyridine-4-carboxamide?
The IUPAC name of N-(1-bromopropan-2-yl)-3-methylpyridine-4-carboxamide (CID 126977624) is N-(1-bromopropan-2-yl)-3-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)-3-methylpyridine-4-carboxamide?
The canonical SMILES for N-(1-bromopropan-2-yl)-3-methylpyridine-4-carboxamide is Cc1cnccc1C(=O)NC(C)CBr.
What is the InChIKey of N-(1-bromopropan-2-yl)-3-methylpyridine-4-carboxamide?
The InChIKey is GVRDJJHWOMERIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-7-6-12-4-3-9(7)10(14)13-8(2)5-11/h3-4,6,8H,5H2,1-2H3,(H,13,14).
What are the key properties of N-(1-bromopropan-2-yl)-3-methylpyridine-4-carboxamide?
N-(1-bromopropan-2-yl)-3-methylpyridine-4-carboxamide has a molecular weight of 257.13 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-3-methylpyridine-4-carboxamide is sourced from PubChem (CID 126977624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).