4-chloro-N-(1-pyridin-3-ylpropan-2-yl)butanamide

C12H17ClN2O — CID 82110099

IUPAC4-chloro-N-(1-pyridin-3-ylpropan-2-yl)butanamide
SMILESCC(Cc1cccnc1)NC(=O)CCCCl
InChIInChI=1S/C12H17ClN2O/c1-10(15-12(16)5-2-6-13)8-11-4-3-7-14-9-11/h3-4,7,9-10H,2,5-6,8H2,1H3,(H,15,16)
InChIKeyYIJSVNXKDDXZBM-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.15
Rot. Bonds6

About 4-chloro-N-(1-pyridin-3-ylpropan-2-yl)butanamide

4-chloro-N-(1-pyridin-3-ylpropan-2-yl)butanamide (PubChem CID 82110099) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 4-chloro-N-(1-pyridin-3-ylpropan-2-yl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(1-pyridin-3-ylpropan-2-yl)butanamide
PubChem CID82110099
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name4-chloro-N-(1-pyridin-3-ylpropan-2-yl)butanamide
SMILESCC(Cc1cccnc1)NC(=O)CCCCl
InChIInChI=1S/C12H17ClN2O/c1-10(15-12(16)5-2-6-13)8-11-4-3-7-14-9-11/h3-4,7,9-10H,2,5-6,8H2,1H3,(H,15,16)
InChIKeyYIJSVNXKDDXZBM-UHFFFAOYSA-N
XLogP2.15
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dimethylphenyl)-N-(1-pyridin-3-ylpropan-2-yl)propanamide
CID 86286437
3-(1H-pyrazol-4-yl)-N-(1-pyridin-3-ylpropan-2-yl)propanamide
CID 131916256
4-chloro-N-[1-(4-methylphenyl)propan-2-yl]butanamide
CID 82109331
4-chloro-N-[1-(4-fluorophenyl)propan-2-yl]butanamide
CID 63308194
2-(3-chloro-4-hydroxyphenyl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]acetamide
CID 99973874
3-chloro-N-(1-phenylpropan-2-yl)propanamide
CID 3550913
N-(1-hydroxypropan-2-yl)-2-pyridin-3-ylacetamide
CID 62691061
2-(1,3-benzodioxol-5-yl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]acetamide
CID 99926874
N-(4-hydroxybutan-2-yl)-2-pyridin-3-ylacetamide
CID 115283484
2-methylsulfanyl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyridine-3-carboxamide
CID 99927418
5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid
CID 54852739
2-ethyl-N-(1-pyridin-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 90653792

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-pyridin-3-ylpropan-2-yl)butanamide?
The IUPAC name of 4-chloro-N-(1-pyridin-3-ylpropan-2-yl)butanamide (CID 82110099) is 4-chloro-N-(1-pyridin-3-ylpropan-2-yl)butanamide.
What is the SMILES notation for 4-chloro-N-(1-pyridin-3-ylpropan-2-yl)butanamide?
The canonical SMILES for 4-chloro-N-(1-pyridin-3-ylpropan-2-yl)butanamide is CC(Cc1cccnc1)NC(=O)CCCCl.
What is the InChIKey of 4-chloro-N-(1-pyridin-3-ylpropan-2-yl)butanamide?
The InChIKey is YIJSVNXKDDXZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-10(15-12(16)5-2-6-13)8-11-4-3-7-14-9-11/h3-4,7,9-10H,2,5-6,8H2,1H3,(H,15,16).
What are the key properties of 4-chloro-N-(1-pyridin-3-ylpropan-2-yl)butanamide?
4-chloro-N-(1-pyridin-3-ylpropan-2-yl)butanamide has a molecular weight of 240.73 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-pyridin-3-ylpropan-2-yl)butanamide is sourced from PubChem (CID 82110099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).