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

C13H13BrN4O — CID 81236115

IUPACN-(5-bromo-2-pyridinyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1cc(C)ncc1C(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C13H13BrN4O/c1-8-5-11(15-2)10(7-16-8)13(19)18-12-4-3-9(14)6-17-12/h3-7H,1-2H3,(H,15,16)(H,17,18,19)
InChIKeyMQDZMVVCOMCVOQ-UHFFFAOYSA-N
MW321.18 g/mol
LogP2.84
Rot. Bonds3

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

N-(5-bromo-2-pyridinyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide (PubChem CID 81236115) has the molecular formula C13H13BrN4O and a molecular weight of 321.18 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
PubChem CID81236115
Molecular FormulaC13H13BrN4O
Molecular Weight321.18 g/mol
Exact Mass320.03
IUPAC NameN-(5-bromo-2-pyridinyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1cc(C)ncc1C(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C13H13BrN4O/c1-8-5-11(15-2)10(7-16-8)13(19)18-12-4-3-9(14)6-17-12/h3-7H,1-2H3,(H,15,16)(H,17,18,19)
InChIKeyMQDZMVVCOMCVOQ-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-2-pyridinyl)-4-hydrazinyl-6-methylpyridine-3-carboxamide
CID 81256857
N-(5-bromo-6-methyl-2-pyridinyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81245835
N-(5-bromo-1,3-thiazol-2-yl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81242509
N-(3,4-dimethylphenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81236774
6-methyl-4-(methylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 81236299
N-(3-fluoro-5-methylphenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81245029
N-(2-chlorophenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81236485
N-(5-bromo-2-pyridinyl)-3,5-dimethylbenzamide
CID 953685
N-(5-chloro-2-methylphenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81233865
N-(2-ethylphenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81236414
N-(5-fluoro-2-methylphenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81236103
N-(5-bromo-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 79770718

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide (CID 81236115) is N-(5-bromo-2-pyridinyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide is CNc1cc(C)ncc1C(=O)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide?
The InChIKey is MQDZMVVCOMCVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O/c1-8-5-11(15-2)10(7-16-8)13(19)18-12-4-3-9(14)6-17-12/h3-7H,1-2H3,(H,15,16)(H,17,18,19).
What are the key properties of N-(5-bromo-2-pyridinyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide?
N-(5-bromo-2-pyridinyl)-6-methyl-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-2-pyridinyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81236115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).