N-[6-(butanoylamino)-4-methyl-3-pyridinyl]furan-2-carboxamide

C15H17N3O3 — CID 1452773

IUPACN-[6-(butanoylamino)-4-methyl-3-pyridinyl]furan-2-carboxamide
SMILESCCCC(=O)Nc1cc(C)c(NC(=O)c2ccco2)cn1
InChIInChI=1S/C15H17N3O3/c1-3-5-14(19)18-13-8-10(2)11(9-16-13)17-15(20)12-6-4-7-21-12/h4,6-9H,3,5H2,1-2H3,(H,17,20)(H,16,18,19)
InChIKeyRUFHJFVDFZFQNQ-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.97
Rot. Bonds5

About N-[6-(butanoylamino)-4-methyl-3-pyridinyl]furan-2-carboxamide

N-[6-(butanoylamino)-4-methyl-3-pyridinyl]furan-2-carboxamide (PubChem CID 1452773) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[6-(butanoylamino)-4-methyl-3-pyridinyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[6-(butanoylamino)-4-methyl-3-pyridinyl]furan-2-carboxamide
PubChem CID1452773
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-[6-(butanoylamino)-4-methyl-3-pyridinyl]furan-2-carboxamide
SMILESCCCC(=O)Nc1cc(C)c(NC(=O)c2ccco2)cn1
InChIInChI=1S/C15H17N3O3/c1-3-5-14(19)18-13-8-10(2)11(9-16-13)17-15(20)12-6-4-7-21-12/h4,6-9H,3,5H2,1-2H3,(H,17,20)(H,16,18,19)
InChIKeyRUFHJFVDFZFQNQ-UHFFFAOYSA-N
XLogP2.97
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(butanoylamino)-4-methyl-3-pyridinyl]furan-2-carboxamide?
The IUPAC name of N-[6-(butanoylamino)-4-methyl-3-pyridinyl]furan-2-carboxamide (CID 1452773) is N-[6-(butanoylamino)-4-methyl-3-pyridinyl]furan-2-carboxamide.
What is the SMILES notation for N-[6-(butanoylamino)-4-methyl-3-pyridinyl]furan-2-carboxamide?
The canonical SMILES for N-[6-(butanoylamino)-4-methyl-3-pyridinyl]furan-2-carboxamide is CCCC(=O)Nc1cc(C)c(NC(=O)c2ccco2)cn1.
What is the InChIKey of N-[6-(butanoylamino)-4-methyl-3-pyridinyl]furan-2-carboxamide?
The InChIKey is RUFHJFVDFZFQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-3-5-14(19)18-13-8-10(2)11(9-16-13)17-15(20)12-6-4-7-21-12/h4,6-9H,3,5H2,1-2H3,(H,17,20)(H,16,18,19).
What are the key properties of N-[6-(butanoylamino)-4-methyl-3-pyridinyl]furan-2-carboxamide?
N-[6-(butanoylamino)-4-methyl-3-pyridinyl]furan-2-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(butanoylamino)-4-methyl-3-pyridinyl]furan-2-carboxamide is sourced from PubChem (CID 1452773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).