N-[(1-methyl-6-oxo-3-pyridinyl)methyl]cyclobutanecarboxamide

C12H16N2O2 — CID 110730554

IUPACN-[(1-methyl-6-oxo-3-pyridinyl)methyl]cyclobutanecarboxamide
SMILESCn1cc(CNC(=O)C2CCC2)ccc1=O
InChIInChI=1S/C12H16N2O2/c1-14-8-9(5-6-11(14)15)7-13-12(16)10-3-2-4-10/h5-6,8,10H,2-4,7H2,1H3,(H,13,16)
InChIKeyDLQHLQUAXAMSJQ-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.80
Rot. Bonds3

About N-[(1-methyl-6-oxo-3-pyridinyl)methyl]cyclobutanecarboxamide

N-[(1-methyl-6-oxo-3-pyridinyl)methyl]cyclobutanecarboxamide (PubChem CID 110730554) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-[(1-methyl-6-oxo-3-pyridinyl)methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(1-methyl-6-oxo-3-pyridinyl)methyl]cyclobutanecarboxamide
PubChem CID110730554
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-[(1-methyl-6-oxo-3-pyridinyl)methyl]cyclobutanecarboxamide
SMILESCn1cc(CNC(=O)C2CCC2)ccc1=O
InChIInChI=1S/C12H16N2O2/c1-14-8-9(5-6-11(14)15)7-13-12(16)10-3-2-4-10/h5-6,8,10H,2-4,7H2,1H3,(H,13,16)
InChIKeyDLQHLQUAXAMSJQ-UHFFFAOYSA-N
XLogP0.80
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(hydroxymethyl)phenyl]methyl]cyclobutanecarboxamide
CID 107231476
N-benzylcyclobutanecarboxamide
CID 730128
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]cyclohexanecarboxamide
CID 110785342
N-[(4-ethylsulfanylphenyl)methyl]cyclobutanecarboxamide
CID 110784564
N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]cyclopentanecarboxamide
CID 110786846
N-benzylcyclopentanecarboxamide
CID 835634
N-butan-2-yl-4-[(cyclobutanecarbonylamino)methyl]benzamide
CID 51082846
N-[(1-methylpyrrol-3-yl)methyl]piperidine-4-carboxamide
CID 82494322
(3R)-N-[(1-methylpyrrol-3-yl)methyl]piperidine-3-carboxamide
CID 96672355
N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985646
3-(4-fluorophenyl)-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]propanamide
CID 110730559
N-[[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]methyl]cyclobutanecarboxamide
CID 50847605

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-6-oxo-3-pyridinyl)methyl]cyclobutanecarboxamide?
The IUPAC name of N-[(1-methyl-6-oxo-3-pyridinyl)methyl]cyclobutanecarboxamide (CID 110730554) is N-[(1-methyl-6-oxo-3-pyridinyl)methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(1-methyl-6-oxo-3-pyridinyl)methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(1-methyl-6-oxo-3-pyridinyl)methyl]cyclobutanecarboxamide is Cn1cc(CNC(=O)C2CCC2)ccc1=O.
What is the InChIKey of N-[(1-methyl-6-oxo-3-pyridinyl)methyl]cyclobutanecarboxamide?
The InChIKey is DLQHLQUAXAMSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-14-8-9(5-6-11(14)15)7-13-12(16)10-3-2-4-10/h5-6,8,10H,2-4,7H2,1H3,(H,13,16).
What are the key properties of N-[(1-methyl-6-oxo-3-pyridinyl)methyl]cyclobutanecarboxamide?
N-[(1-methyl-6-oxo-3-pyridinyl)methyl]cyclobutanecarboxamide has a molecular weight of 220.27 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-6-oxo-3-pyridinyl)methyl]cyclobutanecarboxamide is sourced from PubChem (CID 110730554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).