4-chloro-N-[2-(dimethylamino)-3-pyridinyl]butanamide

C11H16ClN3O — CID 63308102

IUPAC4-chloro-N-[2-(dimethylamino)-3-pyridinyl]butanamide
SMILESCN(C)c1ncccc1NC(=O)CCCCl
InChIInChI=1S/C11H16ClN3O/c1-15(2)11-9(5-4-8-13-11)14-10(16)6-3-7-12/h4-5,8H,3,6-7H2,1-2H3,(H,14,16)
InChIKeyOWLDBVPTBQUTQU-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.11
Rot. Bonds5

About 4-chloro-N-[2-(dimethylamino)-3-pyridinyl]butanamide

4-chloro-N-[2-(dimethylamino)-3-pyridinyl]butanamide (PubChem CID 63308102) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-chloro-N-[2-(dimethylamino)-3-pyridinyl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[2-(dimethylamino)-3-pyridinyl]butanamide
PubChem CID63308102
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name4-chloro-N-[2-(dimethylamino)-3-pyridinyl]butanamide
SMILESCN(C)c1ncccc1NC(=O)CCCCl
InChIInChI=1S/C11H16ClN3O/c1-15(2)11-9(5-4-8-13-11)14-10(16)6-3-7-12/h4-5,8H,3,6-7H2,1-2H3,(H,14,16)
InChIKeyOWLDBVPTBQUTQU-UHFFFAOYSA-N
XLogP2.11
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)-3-pyridinyl]-5-hydroxypentanamide
CID 79199831
6-amino-N-[2-(dimethylamino)-3-pyridinyl]hexanamide
CID 43706742
3-(tert-butylamino)-N-[2-(dimethylamino)-3-pyridinyl]propanamide
CID 60849579
3-[[2-(dimethylamino)-3-pyridinyl]amino]-3-oxopropanoic acid
CID 62230948
4-chloro-N-(2-methyl-3-pyridinyl)butanamide
CID 79042686
3-chloro-N-[2-(dimethylamino)-3-pyridinyl]-2,2-dimethylpropanamide
CID 63680361
2-[2-[[2-(dimethylamino)-3-pyridinyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 104569324
N-[2-(dimethylamino)-3-pyridinyl]-2-ethoxyacetamide
CID 60778535
4-(chloromethyl)-N-[2-(dimethylamino)-3-pyridinyl]benzamide
CID 43698922
N-[2-(dimethylamino)-3-pyridinyl]-2-piperazin-1-ylacetamide
CID 60850191
(2S)-2-amino-N-[2-[[2-(dimethylamino)-3-pyridinyl]amino]-2-oxoethyl]-3-methylbutanamide
CID 82963467
1-[2-(dimethylamino)-3-pyridinyl]-3-(2-fluorophenyl)urea
CID 53016555

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(dimethylamino)-3-pyridinyl]butanamide?
The IUPAC name of 4-chloro-N-[2-(dimethylamino)-3-pyridinyl]butanamide (CID 63308102) is 4-chloro-N-[2-(dimethylamino)-3-pyridinyl]butanamide.
What is the SMILES notation for 4-chloro-N-[2-(dimethylamino)-3-pyridinyl]butanamide?
The canonical SMILES for 4-chloro-N-[2-(dimethylamino)-3-pyridinyl]butanamide is CN(C)c1ncccc1NC(=O)CCCCl.
What is the InChIKey of 4-chloro-N-[2-(dimethylamino)-3-pyridinyl]butanamide?
The InChIKey is OWLDBVPTBQUTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-15(2)11-9(5-4-8-13-11)14-10(16)6-3-7-12/h4-5,8H,3,6-7H2,1-2H3,(H,14,16).
What are the key properties of 4-chloro-N-[2-(dimethylamino)-3-pyridinyl]butanamide?
4-chloro-N-[2-(dimethylamino)-3-pyridinyl]butanamide has a molecular weight of 241.72 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(dimethylamino)-3-pyridinyl]butanamide is sourced from PubChem (CID 63308102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).