N-(3-amino-2-methylpropyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide

C12H19BrN4O — CID 119998007

IUPACN-(3-amino-2-methylpropyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide
SMILESCC(CN)CNC(=O)c1cc(Br)cnc1N(C)C
InChIInChI=1S/C12H19BrN4O/c1-8(5-14)6-16-12(18)10-4-9(13)7-15-11(10)17(2)3/h4,7-8H,5-6,14H2,1-3H3,(H,16,18)
InChIKeyQWSCPRBHNJDJBQ-UHFFFAOYSA-N
MW315.22 g/mol
LogP1.23
Rot. Bonds5

About N-(3-amino-2-methylpropyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide

N-(3-amino-2-methylpropyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide (PubChem CID 119998007) has the molecular formula C12H19BrN4O and a molecular weight of 315.22 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide
PubChem CID119998007
Molecular FormulaC12H19BrN4O
Molecular Weight315.22 g/mol
Exact Mass314.07
IUPAC NameN-(3-amino-2-methylpropyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide
SMILESCC(CN)CNC(=O)c1cc(Br)cnc1N(C)C
InChIInChI=1S/C12H19BrN4O/c1-8(5-14)6-16-12(18)10-4-9(13)7-15-11(10)17(2)3/h4,7-8H,5-6,14H2,1-3H3,(H,16,18)
InChIKeyQWSCPRBHNJDJBQ-UHFFFAOYSA-N
XLogP1.23
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.22
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-amino-2-methylpropyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-2-phenylethyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide
CID 119529446
2-amino-5-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102907966
propan-2-yl 5-bromo-2-(dimethylamino)pyridine-3-carboxylate
CID 133054467
N-(3-amino-2-methylpropyl)-6-(dimethylamino)pyridine-3-carboxamide
CID 119996612
5-bromo-2-(dimethylamino)-N-[[(2R)-oxan-2-yl]methyl]pyridine-3-carboxamide
CID 96539085
5-bromo-N-(3-methoxy-2-methylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 55047194
5-bromo-2-chloro-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide
CID 115759495
5-[(5-bromo-2-chloropyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 114037155
N-(3-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide
CID 119997831
5-bromo-2-chloro-N-[2-(dimethylamino)-4-methylpentyl]pyridine-3-carboxamide
CID 62000661
5-bromo-2-(methylamino)-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide
CID 113466911
5-bromo-2-hydrazinyl-N-(2-methoxypropyl)pyridine-3-carboxamide
CID 102700643

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide (CID 119998007) is N-(3-amino-2-methylpropyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide is CC(CN)CNC(=O)c1cc(Br)cnc1N(C)C.
What is the InChIKey of N-(3-amino-2-methylpropyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide?
The InChIKey is QWSCPRBHNJDJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4O/c1-8(5-14)6-16-12(18)10-4-9(13)7-15-11(10)17(2)3/h4,7-8H,5-6,14H2,1-3H3,(H,16,18).
What are the key properties of N-(3-amino-2-methylpropyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide?
N-(3-amino-2-methylpropyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide has a molecular weight of 315.22 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-5-bromo-2-(dimethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 119998007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).