2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-3-carboxamide

C14H22BrN3O — CID 103752619

IUPAC2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-3-carboxamide
SMILESCC(C)CC(CN(C)C)NC(=O)c1cccnc1Br
InChIInChI=1S/C14H22BrN3O/c1-10(2)8-11(9-18(3)4)17-14(19)12-6-5-7-16-13(12)15/h5-7,10-11H,8-9H2,1-4H3,(H,17,19)
InChIKeyWNKJSLXDUFVZRP-UHFFFAOYSA-N
MW328.25 g/mol
LogP2.55
Rot. Bonds6

About 2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-3-carboxamide

2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-3-carboxamide (PubChem CID 103752619) has the molecular formula C14H22BrN3O and a molecular weight of 328.25 g/mol. Its IUPAC name is 2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-3-carboxamide
PubChem CID103752619
Molecular FormulaC14H22BrN3O
Molecular Weight328.25 g/mol
Exact Mass327.09
IUPAC Name2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-3-carboxamide
SMILESCC(C)CC(CN(C)C)NC(=O)c1cccnc1Br
InChIInChI=1S/C14H22BrN3O/c1-10(2)8-11(9-18(3)4)17-14(19)12-6-5-7-16-13(12)15/h5-7,10-11H,8-9H2,1-4H3,(H,17,19)
InChIKeyWNKJSLXDUFVZRP-UHFFFAOYSA-N
XLogP2.55
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide
CID 54877519
2-bromo-N-pentan-3-ylpyridine-3-carboxamide
CID 103751829
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(methylamino)benzamide
CID 61376334
methyl 2-[(2-bromopyridine-3-carbonyl)amino]-4-methylpentanoate
CID 103752237
2-bromo-N-[2-(dimethylamino)-4-methylpentyl]pyridine-3-carboxamide
CID 113255712
6-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2-carboxamide
CID 103875259
2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide
CID 107358920
3-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-4-carboxamide
CID 66484293
2-bromo-N-(1-methoxybutan-2-yl)pyridine-3-carboxamide
CID 103755507
2-bromo-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
CID 103886003
N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-1-methyl-3-pyridin-3-ylpyrazole-5-carboxamide
CID 136587890
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2,5-dimethylthiophene-3-carboxamide
CID 86994687

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-3-carboxamide (CID 103752619) is 2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-3-carboxamide is CC(C)CC(CN(C)C)NC(=O)c1cccnc1Br.
What is the InChIKey of 2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-3-carboxamide?
The InChIKey is WNKJSLXDUFVZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O/c1-10(2)8-11(9-18(3)4)17-14(19)12-6-5-7-16-13(12)15/h5-7,10-11H,8-9H2,1-4H3,(H,17,19).
What are the key properties of 2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-3-carboxamide?
2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-3-carboxamide has a molecular weight of 328.25 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 103752619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).