N-(5-bromo-4-methyl-2-pyridinyl)-4-(methylamino)pyridine-3-carboxamide

C13H13BrN4O — CID 81245636

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)Nc1cc(C)c(Br)cn1
InChIInChI=1S/C13H13BrN4O/c1-8-5-12(17-7-10(8)14)18-13(19)9-6-16-4-3-11(9)15-2/h3-7H,1-2H3,(H,15,16)(H,17,18,19)
InChIKeyQRRUTFLYRJYUQP-UHFFFAOYSA-N
MW321.18 g/mol
LogP2.84
Rot. Bonds3

About N-(5-bromo-4-methyl-2-pyridinyl)-4-(methylamino)pyridine-3-carboxamide

N-(5-bromo-4-methyl-2-pyridinyl)-4-(methylamino)pyridine-3-carboxamide (PubChem CID 81245636) has the molecular formula C13H13BrN4O and a molecular weight of 321.18 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)-4-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-4-(methylamino)pyridine-3-carboxamide
PubChem CID81245636
Molecular FormulaC13H13BrN4O
Molecular Weight321.18 g/mol
Exact Mass320.03
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)Nc1cc(C)c(Br)cn1
InChIInChI=1S/C13H13BrN4O/c1-8-5-12(17-7-10(8)14)18-13(19)9-6-16-4-3-11(9)15-2/h3-7H,1-2H3,(H,15,16)(H,17,18,19)
InChIKeyQRRUTFLYRJYUQP-UHFFFAOYSA-N
XLogP2.84
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-4-methyl-2-pyridinyl)-4-chloropyridine-3-carboxamide
CID 81232858
N-(5-fluoro-2-pyridinyl)-4-(methylamino)pyridine-3-carboxamide
CID 81245310
N-(5-bromo-4-methyl-2-pyridinyl)-6-(methylamino)pyridazine-3-carboxamide
CID 79729705
N-(4-bromo-3-fluorophenyl)-4-(methylamino)pyridine-3-carboxamide
CID 81245752
2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide
CID 113339789
N-(5-bromo-4-methyl-2-pyridinyl)-2-fluoro-5-methylbenzamide
CID 79733422
N-(5-bromo-4-methyl-2-pyridinyl)-5-chloro-2-hydrazinylbenzamide
CID 79729244
N-(5-bromo-4-methyl-2-pyridinyl)-6-(methylamino)pyridine-2-carboxamide
CID 79730155
3-amino-5-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylbenzamide
CID 107872932
N-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzamide
CID 79733435
N-(5-bromo-4-methyl-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
CID 112548436
N-(5-bromo-4-methyl-2-pyridinyl)-4-chloropyridine-2-carboxamide
CID 79734317

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-4-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-4-(methylamino)pyridine-3-carboxamide (CID 81245636) is N-(5-bromo-4-methyl-2-pyridinyl)-4-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-4-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-4-(methylamino)pyridine-3-carboxamide is CNc1ccncc1C(=O)Nc1cc(C)c(Br)cn1.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-4-(methylamino)pyridine-3-carboxamide?
The InChIKey is QRRUTFLYRJYUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O/c1-8-5-12(17-7-10(8)14)18-13(19)9-6-16-4-3-11(9)15-2/h3-7H,1-2H3,(H,15,16)(H,17,18,19).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-4-(methylamino)pyridine-3-carboxamide?
N-(5-bromo-4-methyl-2-pyridinyl)-4-(methylamino)pyridine-3-carboxamide has a molecular weight of 321.18 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methyl-2-pyridinyl)-4-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81245636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).