N-[3-(oxomethylidene)-2H-pyridin-2-yl]propanamide

C9H10N2O2 — CID 174299558

IUPACN-[3-(oxomethylidene)-2H-pyridin-2-yl]propanamide
SMILESCCC(=O)NC1N=CC=CC1=C=O
InChIInChI=1S/C9H10N2O2/c1-2-8(13)11-9-7(6-12)4-3-5-10-9/h3-5,9H,2H2,1H3,(H,11,13)
InChIKeyRZMZBJYJJZZANT-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.24
Rot. Bonds2

About N-[3-(oxomethylidene)-2H-pyridin-2-yl]propanamide

N-[3-(oxomethylidene)-2H-pyridin-2-yl]propanamide (PubChem CID 174299558) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is N-[3-(oxomethylidene)-2H-pyridin-2-yl]propanamide.

Molecular Properties

Compound NameN-[3-(oxomethylidene)-2H-pyridin-2-yl]propanamide
PubChem CID174299558
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC NameN-[3-(oxomethylidene)-2H-pyridin-2-yl]propanamide
SMILESCCC(=O)NC1N=CC=CC1=C=O
InChIInChI=1S/C9H10N2O2/c1-2-8(13)11-9-7(6-12)4-3-5-10-9/h3-5,9H,2H2,1H3,(H,11,13)
InChIKeyRZMZBJYJJZZANT-UHFFFAOYSA-N
XLogP0.24
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(oxomethylidene)-2H-pyridin-2-yl]propanamide?
The IUPAC name of N-[3-(oxomethylidene)-2H-pyridin-2-yl]propanamide (CID 174299558) is N-[3-(oxomethylidene)-2H-pyridin-2-yl]propanamide.
What is the SMILES notation for N-[3-(oxomethylidene)-2H-pyridin-2-yl]propanamide?
The canonical SMILES for N-[3-(oxomethylidene)-2H-pyridin-2-yl]propanamide is CCC(=O)NC1N=CC=CC1=C=O.
What is the InChIKey of N-[3-(oxomethylidene)-2H-pyridin-2-yl]propanamide?
The InChIKey is RZMZBJYJJZZANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-2-8(13)11-9-7(6-12)4-3-5-10-9/h3-5,9H,2H2,1H3,(H,11,13).
What are the key properties of N-[3-(oxomethylidene)-2H-pyridin-2-yl]propanamide?
N-[3-(oxomethylidene)-2H-pyridin-2-yl]propanamide has a molecular weight of 178.19 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(oxomethylidene)-2H-pyridin-2-yl]propanamide is sourced from PubChem (CID 174299558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).