N-[4-methyl-6-(propanoylamino)-3-pyridinyl]cyclopropanecarboxamide

C13H17N3O2 — CID 1452755

IUPACN-[4-methyl-6-(propanoylamino)-3-pyridinyl]cyclopropanecarboxamide
SMILESCCC(=O)Nc1cc(C)c(NC(=O)C2CC2)cn1
InChIInChI=1S/C13H17N3O2/c1-3-12(17)16-11-6-8(2)10(7-14-11)15-13(18)9-4-5-9/h6-7,9H,3-5H2,1-2H3,(H,15,18)(H,14,16,17)
InChIKeyIFSVJKDFKMWYQC-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.09
Rot. Bonds4

About N-[4-methyl-6-(propanoylamino)-3-pyridinyl]cyclopropanecarboxamide

N-[4-methyl-6-(propanoylamino)-3-pyridinyl]cyclopropanecarboxamide (PubChem CID 1452755) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[4-methyl-6-(propanoylamino)-3-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-methyl-6-(propanoylamino)-3-pyridinyl]cyclopropanecarboxamide
PubChem CID1452755
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-[4-methyl-6-(propanoylamino)-3-pyridinyl]cyclopropanecarboxamide
SMILESCCC(=O)Nc1cc(C)c(NC(=O)C2CC2)cn1
InChIInChI=1S/C13H17N3O2/c1-3-12(17)16-11-6-8(2)10(7-14-11)15-13(18)9-4-5-9/h6-7,9H,3-5H2,1-2H3,(H,15,18)(H,14,16,17)
InChIKeyIFSVJKDFKMWYQC-UHFFFAOYSA-N
XLogP2.09
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-6-(propanoylamino)-3-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-methyl-6-(propanoylamino)-3-pyridinyl]cyclopropanecarboxamide (CID 1452755) is N-[4-methyl-6-(propanoylamino)-3-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-methyl-6-(propanoylamino)-3-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-methyl-6-(propanoylamino)-3-pyridinyl]cyclopropanecarboxamide is CCC(=O)Nc1cc(C)c(NC(=O)C2CC2)cn1.
What is the InChIKey of N-[4-methyl-6-(propanoylamino)-3-pyridinyl]cyclopropanecarboxamide?
The InChIKey is IFSVJKDFKMWYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-3-12(17)16-11-6-8(2)10(7-14-11)15-13(18)9-4-5-9/h6-7,9H,3-5H2,1-2H3,(H,15,18)(H,14,16,17).
What are the key properties of N-[4-methyl-6-(propanoylamino)-3-pyridinyl]cyclopropanecarboxamide?
N-[4-methyl-6-(propanoylamino)-3-pyridinyl]cyclopropanecarboxamide has a molecular weight of 247.30 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-6-(propanoylamino)-3-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 1452755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).