N-(1-oxo-3-pyridin-3-ylpropan-2-yl)acetamide

C10H12N2O2 — CID 21464846

IUPACN-(1-oxo-3-pyridin-3-ylpropan-2-yl)acetamide
SMILESCC(=O)NC(C=O)Cc1cccnc1
InChIInChI=1S/C10H12N2O2/c1-8(14)12-10(7-13)5-9-3-2-4-11-6-9/h2-4,6-7,10H,5H2,1H3,(H,12,14)
InChIKeyKUPMNRYNBQSSOW-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.33
Rot. Bonds4

About N-(1-oxo-3-pyridin-3-ylpropan-2-yl)acetamide

N-(1-oxo-3-pyridin-3-ylpropan-2-yl)acetamide (PubChem CID 21464846) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is N-(1-oxo-3-pyridin-3-ylpropan-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-oxo-3-pyridin-3-ylpropan-2-yl)acetamide
PubChem CID21464846
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC NameN-(1-oxo-3-pyridin-3-ylpropan-2-yl)acetamide
SMILESCC(=O)NC(C=O)Cc1cccnc1
InChIInChI=1S/C10H12N2O2/c1-8(14)12-10(7-13)5-9-3-2-4-11-6-9/h2-4,6-7,10H,5H2,1H3,(H,12,14)
InChIKeyKUPMNRYNBQSSOW-UHFFFAOYSA-N
XLogP0.33
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

iron(3+);tris(3-(pyridin-3-ylmethyl)pentane-2,4-dione)
CID 159970189
3-(methylamino)-4-pyridin-3-ylbutan-2-one
CID 22974289
3-(aminomethyl)-4-pyridin-3-ylbutan-2-one
CID 86775823
(1-oxo-3-pyridin-3-ylpropan-2-yl) carbamate
CID 175424495
2-amino-N-ethyl-3-pyridin-3-ylpropanamide
CID 129276971
N-[(1S)-2,2,2-trichloro-1-(pyridin-3-ylmethylamino)ethyl]acetamide
CID 780039
4-pyridin-3-ylbutan-2-ylcarbamic acid
CID 146273639
[(2R)-1-bromo-3-pyridin-3-ylpropan-2-yl]carbamic acid
CID 139979596
N-[(2S)-3-methyl-1-oxobutan-2-yl]-3-pyridin-3-ylpropanamide
CID 18396525
4-chloro-N-(1-pyridin-3-ylpropan-2-yl)butanamide
CID 82110099
(2S)-2-(methoxycarbonylamino)-3-pyridin-3-ylpropanoic acid
CID 59166442
2-acetamido-3-[methyl(pyridin-3-ylmethyl)amino]propanoic acid
CID 64582503

Frequently Asked Questions

What is the IUPAC name of N-(1-oxo-3-pyridin-3-ylpropan-2-yl)acetamide?
The IUPAC name of N-(1-oxo-3-pyridin-3-ylpropan-2-yl)acetamide (CID 21464846) is N-(1-oxo-3-pyridin-3-ylpropan-2-yl)acetamide.
What is the SMILES notation for N-(1-oxo-3-pyridin-3-ylpropan-2-yl)acetamide?
The canonical SMILES for N-(1-oxo-3-pyridin-3-ylpropan-2-yl)acetamide is CC(=O)NC(C=O)Cc1cccnc1.
What is the InChIKey of N-(1-oxo-3-pyridin-3-ylpropan-2-yl)acetamide?
The InChIKey is KUPMNRYNBQSSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-8(14)12-10(7-13)5-9-3-2-4-11-6-9/h2-4,6-7,10H,5H2,1H3,(H,12,14).
What are the key properties of N-(1-oxo-3-pyridin-3-ylpropan-2-yl)acetamide?
N-(1-oxo-3-pyridin-3-ylpropan-2-yl)acetamide has a molecular weight of 192.22 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxo-3-pyridin-3-ylpropan-2-yl)acetamide is sourced from PubChem (CID 21464846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).