5-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-(methylamino)pyridine-3-carboxamide

C12H17BrN4O2 — CID 55046150

IUPAC5-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-(methylamino)pyridine-3-carboxamide
SMILESCCNC(=O)C(C)NC(=O)c1cc(Br)cnc1NC
InChIInChI=1S/C12H17BrN4O2/c1-4-15-11(18)7(2)17-12(19)9-5-8(13)6-16-10(9)14-3/h5-7H,4H2,1-3H3,(H,14,16)(H,15,18)(H,17,19)
InChIKeyWQIVARJVPUQTDQ-UHFFFAOYSA-N
MW329.20 g/mol
LogP1.14
Rot. Bonds5

About 5-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-(methylamino)pyridine-3-carboxamide

5-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-(methylamino)pyridine-3-carboxamide (PubChem CID 55046150) has the molecular formula C12H17BrN4O2 and a molecular weight of 329.20 g/mol. Its IUPAC name is 5-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-(methylamino)pyridine-3-carboxamide
PubChem CID55046150
Molecular FormulaC12H17BrN4O2
Molecular Weight329.20 g/mol
Exact Mass328.05
IUPAC Name5-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-(methylamino)pyridine-3-carboxamide
SMILESCCNC(=O)C(C)NC(=O)c1cc(Br)cnc1NC
InChIInChI=1S/C12H17BrN4O2/c1-4-15-11(18)7(2)17-12(19)9-5-8(13)6-16-10(9)14-3/h5-7H,4H2,1-3H3,(H,14,16)(H,15,18)(H,17,19)
InChIKeyWQIVARJVPUQTDQ-UHFFFAOYSA-N
XLogP1.14
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 8750450
3-amino-5-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 107872241
5-bromo-N-(1-methoxy-3-methylbutan-2-yl)-2-(methylamino)pyridine-3-carboxamide
CID 65053033
5-bromo-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 106283519
5-bromo-2-(methylamino)-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide
CID 113466911
5-bromo-N',N'-dimethyl-2-(methylamino)pyridine-3-carbohydrazide
CID 83022924
N-[1-(ethylamino)-1-oxopropan-2-yl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385912
5-bromo-N-(3-methoxy-2-methylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 55047194
3,5-dibromo-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 103907452
5-bromo-2-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)pyridine-3-carboxamide
CID 62178901
5-bromo-N-(2-ethoxyethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62185046
5-bromo-N-methyl-2-(methylamino)-N-pentan-2-ylpyridine-3-carboxamide
CID 62169583

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-(methylamino)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-(methylamino)pyridine-3-carboxamide (CID 55046150) is 5-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-(methylamino)pyridine-3-carboxamide is CCNC(=O)C(C)NC(=O)c1cc(Br)cnc1NC.
What is the InChIKey of 5-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-(methylamino)pyridine-3-carboxamide?
The InChIKey is WQIVARJVPUQTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4O2/c1-4-15-11(18)7(2)17-12(19)9-5-8(13)6-16-10(9)14-3/h5-7H,4H2,1-3H3,(H,14,16)(H,15,18)(H,17,19).
What are the key properties of 5-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-(methylamino)pyridine-3-carboxamide?
5-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-(methylamino)pyridine-3-carboxamide has a molecular weight of 329.20 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 55046150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).