pentan-3-yl(pyridin-3-yl)carbamic acid

C11H16N2O2 — CID 174673896

IUPACpentan-3-yl(pyridin-3-yl)carbamic acid
SMILESCCC(CC)N(C(=O)O)c1cccnc1
InChIInChI=1S/C11H16N2O2/c1-3-9(4-2)13(11(14)15)10-6-5-7-12-8-10/h5-9H,3-4H2,1-2H3,(H,14,15)
InChIKeyJINYYQASMVETMJ-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.75
Rot. Bonds4

About pentan-3-yl(pyridin-3-yl)carbamic acid

pentan-3-yl(pyridin-3-yl)carbamic acid (PubChem CID 174673896) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is pentan-3-yl(pyridin-3-yl)carbamic acid.

Molecular Properties

Compound Namepentan-3-yl(pyridin-3-yl)carbamic acid
PubChem CID174673896
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Namepentan-3-yl(pyridin-3-yl)carbamic acid
SMILESCCC(CC)N(C(=O)O)c1cccnc1
InChIInChI=1S/C11H16N2O2/c1-3-9(4-2)13(11(14)15)10-6-5-7-12-8-10/h5-9H,3-4H2,1-2H3,(H,14,15)
InChIKeyJINYYQASMVETMJ-UHFFFAOYSA-N
XLogP2.75
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

iodoethane;pyridine-3-carboxylic acid
CID 158495952
3-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
CID 63067935
2-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]butanoic acid
CID 65226726
(E)-4-[methyl(pyridin-3-yl)amino]but-2-enoic acid
CID 115237054
ethyl pyridine-3-carboperoxoate
CID 143721352
2-chloro-1-pyridin-3-ylbutan-1-one
CID 19779673
ethane;5-methylhexan-3-yl pyridine-3-carboxylate
CID 153333067
2-methyl-2-(N-pyridin-3-ylanilino)butanoic acid
CID 68858029
2-(pyridin-3-ylamino)butanoic acid
CID 90735092
N-methyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756365
2-pyridin-3-yloxybutanoic acid
CID 18796174
2-pyridin-3-ylpent-1-en-3-one
CID 155931297

Frequently Asked Questions

What is the IUPAC name of pentan-3-yl(pyridin-3-yl)carbamic acid?
The IUPAC name of pentan-3-yl(pyridin-3-yl)carbamic acid (CID 174673896) is pentan-3-yl(pyridin-3-yl)carbamic acid.
What is the SMILES notation for pentan-3-yl(pyridin-3-yl)carbamic acid?
The canonical SMILES for pentan-3-yl(pyridin-3-yl)carbamic acid is CCC(CC)N(C(=O)O)c1cccnc1.
What is the InChIKey of pentan-3-yl(pyridin-3-yl)carbamic acid?
The InChIKey is JINYYQASMVETMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-9(4-2)13(11(14)15)10-6-5-7-12-8-10/h5-9H,3-4H2,1-2H3,(H,14,15).
What are the key properties of pentan-3-yl(pyridin-3-yl)carbamic acid?
pentan-3-yl(pyridin-3-yl)carbamic acid has a molecular weight of 208.26 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-3-yl(pyridin-3-yl)carbamic acid is sourced from PubChem (CID 174673896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).