N-[6-(butanoylamino)-3-pyridinyl]cyclopropanecarboxamide

C13H17N3O2 — CID 649641

IUPACN-[6-(butanoylamino)-3-pyridinyl]cyclopropanecarboxamide
SMILESCCCC(=O)Nc1ccc(NC(=O)C2CC2)cn1
InChIInChI=1S/C13H17N3O2/c1-2-3-12(17)16-11-7-6-10(8-14-11)15-13(18)9-4-5-9/h6-9H,2-5H2,1H3,(H,15,18)(H,14,16,17)
InChIKeyKUPIVLVWGJMWLV-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.17
Rot. Bonds5

About N-[6-(butanoylamino)-3-pyridinyl]cyclopropanecarboxamide

N-[6-(butanoylamino)-3-pyridinyl]cyclopropanecarboxamide (PubChem CID 649641) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[6-(butanoylamino)-3-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(butanoylamino)-3-pyridinyl]cyclopropanecarboxamide
PubChem CID649641
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-[6-(butanoylamino)-3-pyridinyl]cyclopropanecarboxamide
SMILESCCCC(=O)Nc1ccc(NC(=O)C2CC2)cn1
InChIInChI=1S/C13H17N3O2/c1-2-3-12(17)16-11-7-6-10(8-14-11)15-13(18)9-4-5-9/h6-9H,2-5H2,1H3,(H,15,18)(H,14,16,17)
InChIKeyKUPIVLVWGJMWLV-UHFFFAOYSA-N
XLogP2.17
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-(butanoylamino)-3-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(butanoylamino)-3-pyridinyl]cyclopropanecarboxamide (CID 649641) is N-[6-(butanoylamino)-3-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(butanoylamino)-3-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(butanoylamino)-3-pyridinyl]cyclopropanecarboxamide is CCCC(=O)Nc1ccc(NC(=O)C2CC2)cn1.
What is the InChIKey of N-[6-(butanoylamino)-3-pyridinyl]cyclopropanecarboxamide?
The InChIKey is KUPIVLVWGJMWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-2-3-12(17)16-11-7-6-10(8-14-11)15-13(18)9-4-5-9/h6-9H,2-5H2,1H3,(H,15,18)(H,14,16,17).
What are the key properties of N-[6-(butanoylamino)-3-pyridinyl]cyclopropanecarboxamide?
N-[6-(butanoylamino)-3-pyridinyl]cyclopropanecarboxamide has a molecular weight of 247.30 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(butanoylamino)-3-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 649641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).