N-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide

C13H18N2O3 — CID 111445552

IUPACN-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
SMILESO=C(CCn1ccccc1=O)NCC1(O)CCC1
InChIInChI=1S/C13H18N2O3/c16-11(14-10-13(18)6-3-7-13)5-9-15-8-2-1-4-12(15)17/h1-2,4,8,18H,3,5-7,9-10H2,(H,14,16)
InChIKeyTXTYQZQOQPMDPQ-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.27
Rot. Bonds5

About N-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide

N-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide (PubChem CID 111445552) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
PubChem CID111445552
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
SMILESO=C(CCn1ccccc1=O)NCC1(O)CCC1
InChIInChI=1S/C13H18N2O3/c16-11(14-10-13(18)6-3-7-13)5-9-15-8-2-1-4-12(15)17/h1-2,4,8,18H,3,5-7,9-10H2,(H,14,16)
InChIKeyTXTYQZQOQPMDPQ-UHFFFAOYSA-N
XLogP0.27
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-(2-oxo-1-pyridinyl)propanoylamino]methyl]cyclopentane-1-carboxylic acid
CID 81367128
1-[(1-hydroxycycloheptyl)methyl]-3-[4-(2-oxo-1-pyridinyl)butyl]urea
CID 111426906
3-(benzimidazol-1-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide
CID 111445290
3-(2-oxo-1-pyridinyl)propanehydrazide
CID 43346089
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-3-(2-oxo-1-pyridinyl)propanamide
CID 115759961
N-(2-cyclopentyl-2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 111426294
N-[(1-hydroxycyclobutyl)methyl]-3-phenylpropanamide
CID 111445427
2,2-dimethyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanamide
CID 86996735
3-methyl-4-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid
CID 81063006
N-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 110908908
N-[(4-fluorophenyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86979441
N-[(1-hydroxycyclopentyl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 111331415

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide (CID 111445552) is N-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide is O=C(CCn1ccccc1=O)NCC1(O)CCC1.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide?
The InChIKey is TXTYQZQOQPMDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-11(14-10-13(18)6-3-7-13)5-9-15-8-2-1-4-12(15)17/h1-2,4,8,18H,3,5-7,9-10H2,(H,14,16).
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide?
N-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide has a molecular weight of 250.30 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 111445552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).