N-[2-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-3-pyridinyl]propan-2-yl]acetamide

C16H19BrN4O2 — CID 59473804

IUPACN-[2-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-3-pyridinyl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1ccc(Nc2cc(Br)cn(C)c2=O)nc1
InChIInChI=1S/C16H19BrN4O2/c1-10(22)20-16(2,3)11-5-6-14(18-8-11)19-13-7-12(17)9-21(4)15(13)23/h5-9H,1-4H3,(H,18,19)(H,20,22)
InChIKeyMUIIDJRYYGPCOO-UHFFFAOYSA-N
MW379.26 g/mol
LogP2.66
Rot. Bonds4

About N-[2-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-3-pyridinyl]propan-2-yl]acetamide

N-[2-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-3-pyridinyl]propan-2-yl]acetamide (PubChem CID 59473804) has the molecular formula C16H19BrN4O2 and a molecular weight of 379.26 g/mol. Its IUPAC name is N-[2-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-3-pyridinyl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-3-pyridinyl]propan-2-yl]acetamide
PubChem CID59473804
Molecular FormulaC16H19BrN4O2
Molecular Weight379.26 g/mol
Exact Mass378.07
IUPAC NameN-[2-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-3-pyridinyl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1ccc(Nc2cc(Br)cn(C)c2=O)nc1
InChIInChI=1S/C16H19BrN4O2/c1-10(22)20-16(2,3)11-5-6-14(18-8-11)19-13-7-12(17)9-21(4)15(13)23/h5-9H,1-4H3,(H,18,19)(H,20,22)
InChIKeyMUIIDJRYYGPCOO-UHFFFAOYSA-N
XLogP2.66
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.26
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-3-pyridinyl]propan-2-yl]acetamide?
The IUPAC name of N-[2-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-3-pyridinyl]propan-2-yl]acetamide (CID 59473804) is N-[2-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-3-pyridinyl]propan-2-yl]acetamide.
What is the SMILES notation for N-[2-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-3-pyridinyl]propan-2-yl]acetamide?
The canonical SMILES for N-[2-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-3-pyridinyl]propan-2-yl]acetamide is CC(=O)NC(C)(C)c1ccc(Nc2cc(Br)cn(C)c2=O)nc1.
What is the InChIKey of N-[2-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-3-pyridinyl]propan-2-yl]acetamide?
The InChIKey is MUIIDJRYYGPCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O2/c1-10(22)20-16(2,3)11-5-6-14(18-8-11)19-13-7-12(17)9-21(4)15(13)23/h5-9H,1-4H3,(H,18,19)(H,20,22).
What are the key properties of N-[2-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-3-pyridinyl]propan-2-yl]acetamide?
N-[2-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-3-pyridinyl]propan-2-yl]acetamide has a molecular weight of 379.26 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-3-pyridinyl]propan-2-yl]acetamide is sourced from PubChem (CID 59473804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).