4-pyridin-3-ylbutan-2-ylcarbamic acid

C10H14N2O2 — CID 146273639

IUPAC4-pyridin-3-ylbutan-2-ylcarbamic acid
SMILESCC(CCc1cccnc1)NC(=O)O
InChIInChI=1S/C10H14N2O2/c1-8(12-10(13)14)4-5-9-3-2-6-11-7-9/h2-3,6-8,12H,4-5H2,1H3,(H,13,14)
InChIKeyCYKYQKWMMGTSPQ-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.67
Rot. Bonds4

About 4-pyridin-3-ylbutan-2-ylcarbamic acid

4-pyridin-3-ylbutan-2-ylcarbamic acid (PubChem CID 146273639) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-pyridin-3-ylbutan-2-ylcarbamic acid.

Molecular Properties

Compound Name4-pyridin-3-ylbutan-2-ylcarbamic acid
PubChem CID146273639
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name4-pyridin-3-ylbutan-2-ylcarbamic acid
SMILESCC(CCc1cccnc1)NC(=O)O
InChIInChI=1S/C10H14N2O2/c1-8(12-10(13)14)4-5-9-3-2-6-11-7-9/h2-3,6-8,12H,4-5H2,1H3,(H,13,14)
InChIKeyCYKYQKWMMGTSPQ-UHFFFAOYSA-N
XLogP1.67
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-pyridin-3-ylbutan-2-ylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-4-pyridin-3-ylbutanoic acid
CID 79004008
1-pyridin-3-ylheptan-4-ylcarbamic acid
CID 22155280
(2R)-3-methyl-N-[(2S)-4-phenylbutan-2-yl]-2-pyridin-3-ylbutanamide
CID 100653110
4-methyl-2-(2-pyridin-3-ylethyl)pentanoic acid
CID 79425331
N-(5-pyridin-3-ylpentan-2-yl)prop-2-enamide
CID 23051243
N-(4-hydroxybutan-2-yl)-2-pyridin-3-ylacetamide
CID 115283484
N-pentan-3-yl-2-(2-pyridin-3-ylethylamino)propanamide
CID 60913079
1-(5-hydroxypentan-2-yl)-3-(2-pyridin-3-ylethyl)urea
CID 126801666
N-(1-hydroxypropan-2-yl)-2-pyridin-3-ylacetamide
CID 62691061
[(2R)-1-bromo-3-pyridin-3-ylpropan-2-yl]carbamic acid
CID 139979596
N-methyl-2-(2-pyridin-3-ylethylamino)propanamide
CID 60912739
2-[(2-methylphenyl)methyl]-4-pyridin-3-ylbutanoic acid
CID 79418739

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-ylbutan-2-ylcarbamic acid?
The IUPAC name of 4-pyridin-3-ylbutan-2-ylcarbamic acid (CID 146273639) is 4-pyridin-3-ylbutan-2-ylcarbamic acid.
What is the SMILES notation for 4-pyridin-3-ylbutan-2-ylcarbamic acid?
The canonical SMILES for 4-pyridin-3-ylbutan-2-ylcarbamic acid is CC(CCc1cccnc1)NC(=O)O.
What is the InChIKey of 4-pyridin-3-ylbutan-2-ylcarbamic acid?
The InChIKey is CYKYQKWMMGTSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-8(12-10(13)14)4-5-9-3-2-6-11-7-9/h2-3,6-8,12H,4-5H2,1H3,(H,13,14).
What are the key properties of 4-pyridin-3-ylbutan-2-ylcarbamic acid?
4-pyridin-3-ylbutan-2-ylcarbamic acid has a molecular weight of 194.23 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-ylbutan-2-ylcarbamic acid is sourced from PubChem (CID 146273639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).