N-(5-bromo-6-methyl-2-pyridinyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide

C14H15BrN4O — CID 81245835

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1cc(C)ncc1C(=O)Nc1ccc(Br)c(C)n1
InChIInChI=1S/C14H15BrN4O/c1-8-6-12(16-3)10(7-17-8)14(20)19-13-5-4-11(15)9(2)18-13/h4-7H,1-3H3,(H,16,17)(H,18,19,20)
InChIKeyHRVZLLOUGULTDY-UHFFFAOYSA-N
MW335.21 g/mol
LogP3.15
Rot. Bonds3

About N-(5-bromo-6-methyl-2-pyridinyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide

N-(5-bromo-6-methyl-2-pyridinyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide (PubChem CID 81245835) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
PubChem CID81245835
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1cc(C)ncc1C(=O)Nc1ccc(Br)c(C)n1
InChIInChI=1S/C14H15BrN4O/c1-8-6-12(16-3)10(7-17-8)14(20)19-13-5-4-11(15)9(2)18-13/h4-7H,1-3H3,(H,16,17)(H,18,19,20)
InChIKeyHRVZLLOUGULTDY-UHFFFAOYSA-N
XLogP3.15
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide (CID 81245835) is N-(5-bromo-6-methyl-2-pyridinyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide is CNc1cc(C)ncc1C(=O)Nc1ccc(Br)c(C)n1.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide?
The InChIKey is HRVZLLOUGULTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c1-8-6-12(16-3)10(7-17-8)14(20)19-13-5-4-11(15)9(2)18-13/h4-7H,1-3H3,(H,16,17)(H,18,19,20).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide?
N-(5-bromo-6-methyl-2-pyridinyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide has a molecular weight of 335.21 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81245835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).