N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-5-(aminomethyl)-3-methylfuran-2-carboxamide

C16H19N3O3 — CID 166250565

IUPACN-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-5-(aminomethyl)-3-methylfuran-2-carboxamide
SMILESCC(=O)c1ccc(CNC(=O)c2oc(CN)cc2C)nc1C
InChIInChI=1S/C16H19N3O3/c1-9-6-13(7-17)22-15(9)16(21)18-8-12-4-5-14(11(3)20)10(2)19-12/h4-6H,7-8,17H2,1-3H3,(H,18,21)
InChIKeyONGYCRBRTWUFOI-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.88
Rot. Bonds5

About N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-5-(aminomethyl)-3-methylfuran-2-carboxamide

N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-5-(aminomethyl)-3-methylfuran-2-carboxamide (PubChem CID 166250565) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-5-(aminomethyl)-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-5-(aminomethyl)-3-methylfuran-2-carboxamide
PubChem CID166250565
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-5-(aminomethyl)-3-methylfuran-2-carboxamide
SMILESCC(=O)c1ccc(CNC(=O)c2oc(CN)cc2C)nc1C
InChIInChI=1S/C16H19N3O3/c1-9-6-13(7-17)22-15(9)16(21)18-8-12-4-5-14(11(3)20)10(2)19-12/h4-6H,7-8,17H2,1-3H3,(H,18,21)
InChIKeyONGYCRBRTWUFOI-UHFFFAOYSA-N
XLogP1.88
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-5-(aminomethyl)-3-methylfuran-2-carboxamide?
The IUPAC name of N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-5-(aminomethyl)-3-methylfuran-2-carboxamide (CID 166250565) is N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-5-(aminomethyl)-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-5-(aminomethyl)-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-5-(aminomethyl)-3-methylfuran-2-carboxamide is CC(=O)c1ccc(CNC(=O)c2oc(CN)cc2C)nc1C.
What is the InChIKey of N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-5-(aminomethyl)-3-methylfuran-2-carboxamide?
The InChIKey is ONGYCRBRTWUFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-9-6-13(7-17)22-15(9)16(21)18-8-12-4-5-14(11(3)20)10(2)19-12/h4-6H,7-8,17H2,1-3H3,(H,18,21).
What are the key properties of N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-5-(aminomethyl)-3-methylfuran-2-carboxamide?
N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-5-(aminomethyl)-3-methylfuran-2-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-5-(aminomethyl)-3-methylfuran-2-carboxamide is sourced from PubChem (CID 166250565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).