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

C15H17N3O3 — CID 6498663

IUPACN-[3-(furan-2-carbonylamino)propyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCCNC(=O)c2ccco2)cn1
InChIInChI=1S/C15H17N3O3/c1-11-5-6-12(10-18-11)14(19)16-7-3-8-17-15(20)13-4-2-9-21-13/h2,4-6,9-10H,3,7-8H2,1H3,(H,16,19)(H,17,20)
InChIKeyWZQVYKMPZGNJQC-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.53
Rot. Bonds6

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

N-[3-(furan-2-carbonylamino)propyl]-6-methylpyridine-3-carboxamide (PubChem CID 6498663) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[3-(furan-2-carbonylamino)propyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-2-carbonylamino)propyl]-6-methylpyridine-3-carboxamide
PubChem CID6498663
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-[3-(furan-2-carbonylamino)propyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCCNC(=O)c2ccco2)cn1
InChIInChI=1S/C15H17N3O3/c1-11-5-6-12(10-18-11)14(19)16-7-3-8-17-15(20)13-4-2-9-21-13/h2,4-6,9-10H,3,7-8H2,1H3,(H,16,19)(H,17,20)
InChIKeyWZQVYKMPZGNJQC-UHFFFAOYSA-N
XLogP1.53
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.53
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-[3-(furan-2-carbonylamino)propyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[3-(furan-2-carbonylamino)propyl]-6-methylpyridine-3-carboxamide (CID 6498663) is N-[3-(furan-2-carbonylamino)propyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-(furan-2-carbonylamino)propyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[3-(furan-2-carbonylamino)propyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NCCCNC(=O)c2ccco2)cn1.
What is the InChIKey of N-[3-(furan-2-carbonylamino)propyl]-6-methylpyridine-3-carboxamide?
The InChIKey is WZQVYKMPZGNJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-11-5-6-12(10-18-11)14(19)16-7-3-8-17-15(20)13-4-2-9-21-13/h2,4-6,9-10H,3,7-8H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N-[3-(furan-2-carbonylamino)propyl]-6-methylpyridine-3-carboxamide?
N-[3-(furan-2-carbonylamino)propyl]-6-methylpyridine-3-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-carbonylamino)propyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 6498663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).