N-[2-(furan-2-carbonylamino)ethyl]-6-methylpyridine-3-carboxamide

C14H15N3O3 — CID 6498632

IUPACN-[2-(furan-2-carbonylamino)ethyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCNC(=O)c2ccco2)cn1
InChIInChI=1S/C14H15N3O3/c1-10-4-5-11(9-17-10)13(18)15-6-7-16-14(19)12-3-2-8-20-12/h2-5,8-9H,6-7H2,1H3,(H,15,18)(H,16,19)
InChIKeyUIIGKJWERVGHSE-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.14
Rot. Bonds5

About N-[2-(furan-2-carbonylamino)ethyl]-6-methylpyridine-3-carboxamide

N-[2-(furan-2-carbonylamino)ethyl]-6-methylpyridine-3-carboxamide (PubChem CID 6498632) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-[2-(furan-2-carbonylamino)ethyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-carbonylamino)ethyl]-6-methylpyridine-3-carboxamide
PubChem CID6498632
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-[2-(furan-2-carbonylamino)ethyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCNC(=O)c2ccco2)cn1
InChIInChI=1S/C14H15N3O3/c1-10-4-5-11(9-17-10)13(18)15-6-7-16-14(19)12-3-2-8-20-12/h2-5,8-9H,6-7H2,1H3,(H,15,18)(H,16,19)
InChIKeyUIIGKJWERVGHSE-UHFFFAOYSA-N
XLogP1.14
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-carbonylamino)ethyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[2-(furan-2-carbonylamino)ethyl]-6-methylpyridine-3-carboxamide (CID 6498632) is N-[2-(furan-2-carbonylamino)ethyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(furan-2-carbonylamino)ethyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(furan-2-carbonylamino)ethyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NCCNC(=O)c2ccco2)cn1.
What is the InChIKey of N-[2-(furan-2-carbonylamino)ethyl]-6-methylpyridine-3-carboxamide?
The InChIKey is UIIGKJWERVGHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-10-4-5-11(9-17-10)13(18)15-6-7-16-14(19)12-3-2-8-20-12/h2-5,8-9H,6-7H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N-[2-(furan-2-carbonylamino)ethyl]-6-methylpyridine-3-carboxamide?
N-[2-(furan-2-carbonylamino)ethyl]-6-methylpyridine-3-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-carbonylamino)ethyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 6498632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).