(5-oxo-5-pyridin-2-ylpentyl)carbamic acid

C11H14N2O3 — CID 68759301

IUPAC(5-oxo-5-pyridin-2-ylpentyl)carbamic acid
SMILESO=C(O)NCCCCC(=O)c1ccccn1
InChIInChI=1S/C11H14N2O3/c14-10(9-5-1-3-7-12-9)6-2-4-8-13-11(15)16/h1,3,5,7,13H,2,4,6,8H2,(H,15,16)
InChIKeyUQNXUOKOKKADLY-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.70
Rot. Bonds6

About (5-oxo-5-pyridin-2-ylpentyl)carbamic acid

(5-oxo-5-pyridin-2-ylpentyl)carbamic acid (PubChem CID 68759301) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is (5-oxo-5-pyridin-2-ylpentyl)carbamic acid.

Molecular Properties

Compound Name(5-oxo-5-pyridin-2-ylpentyl)carbamic acid
PubChem CID68759301
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name(5-oxo-5-pyridin-2-ylpentyl)carbamic acid
SMILESO=C(O)NCCCCC(=O)c1ccccn1
InChIInChI=1S/C11H14N2O3/c14-10(9-5-1-3-7-12-9)6-2-4-8-13-11(15)16/h1,3,5,7,13H,2,4,6,8H2,(H,15,16)
InChIKeyUQNXUOKOKKADLY-UHFFFAOYSA-N
XLogP1.70
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(methylamino)-1-pyridin-2-ylbutan-1-one
CID 83816768
6-(pyridine-2-carbonylamino)hexanoic acid
CID 16792895
1-pyridin-2-ylhexan-1-one
CID 556347
1-pyridin-2-yl-4-sulfanylbutan-1-one
CID 20509868
3-anilino-1-pyridin-2-ylpropan-1-one
CID 12523109
N-[6-(pyridine-2-carbonylamino)hexyl]pyridine-2-carboxamide;hydrochloride
CID 54601367
3-amino-1-pyridin-2-ylpropan-1-one
CID 45079500
4-ethoxy-1-pyridin-2-ylbutan-1-one
CID 45074562
4-methylsulfonyl-1-pyridin-2-ylbutan-1-one
CID 63192067
4,4-dimethyl-1-pyridin-2-ylpentan-1-one
CID 62620197
1-pyridin-2-ylbutane-1,3-dione
CID 12707221
1-phenyl-5-pyridin-2-ylpentane-1,3,5-trione
CID 117060151

Frequently Asked Questions

What is the IUPAC name of (5-oxo-5-pyridin-2-ylpentyl)carbamic acid?
The IUPAC name of (5-oxo-5-pyridin-2-ylpentyl)carbamic acid (CID 68759301) is (5-oxo-5-pyridin-2-ylpentyl)carbamic acid.
What is the SMILES notation for (5-oxo-5-pyridin-2-ylpentyl)carbamic acid?
The canonical SMILES for (5-oxo-5-pyridin-2-ylpentyl)carbamic acid is O=C(O)NCCCCC(=O)c1ccccn1.
What is the InChIKey of (5-oxo-5-pyridin-2-ylpentyl)carbamic acid?
The InChIKey is UQNXUOKOKKADLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-10(9-5-1-3-7-12-9)6-2-4-8-13-11(15)16/h1,3,5,7,13H,2,4,6,8H2,(H,15,16).
What are the key properties of (5-oxo-5-pyridin-2-ylpentyl)carbamic acid?
(5-oxo-5-pyridin-2-ylpentyl)carbamic acid has a molecular weight of 222.24 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-5-pyridin-2-ylpentyl)carbamic acid is sourced from PubChem (CID 68759301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).