4-chloro-N-[6-(dimethylamino)-3-pyridinyl]butanamide

C11H16ClN3O — CID 63308097

IUPAC4-chloro-N-[6-(dimethylamino)-3-pyridinyl]butanamide
SMILESCN(C)c1ccc(NC(=O)CCCCl)cn1
InChIInChI=1S/C11H16ClN3O/c1-15(2)10-6-5-9(8-13-10)14-11(16)4-3-7-12/h5-6,8H,3-4,7H2,1-2H3,(H,14,16)
InChIKeyFYGUYJZIWCPCQV-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.11
Rot. Bonds5

About 4-chloro-N-[6-(dimethylamino)-3-pyridinyl]butanamide

4-chloro-N-[6-(dimethylamino)-3-pyridinyl]butanamide (PubChem CID 63308097) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-chloro-N-[6-(dimethylamino)-3-pyridinyl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[6-(dimethylamino)-3-pyridinyl]butanamide
PubChem CID63308097
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name4-chloro-N-[6-(dimethylamino)-3-pyridinyl]butanamide
SMILESCN(C)c1ccc(NC(=O)CCCCl)cn1
InChIInChI=1S/C11H16ClN3O/c1-15(2)10-6-5-9(8-13-10)14-11(16)4-3-7-12/h5-6,8H,3-4,7H2,1-2H3,(H,14,16)
InChIKeyFYGUYJZIWCPCQV-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-[6-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide
CID 60842943
3-(2-chlorophenyl)-N-[6-(dimethylamino)-3-pyridinyl]propanamide
CID 30296888
4-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]butanamide
CID 82810971
5-(1,3-benzothiazol-2-yl)-N-[6-(dimethylamino)-3-pyridinyl]pentanamide
CID 30295154
2-(4-acetamidophenyl)-N-[6-(dimethylamino)-3-pyridinyl]acetamide
CID 30295273
N-[4-[[6-(dimethylamino)-3-pyridinyl]amino]-4-oxobutyl]thiophene-2-carboxamide
CID 30294941
2-amino-N-[2-[[6-(dimethylamino)-3-pyridinyl]amino]-2-oxoethyl]acetamide
CID 54928218
N-[6-(dimethylamino)-3-pyridinyl]-3-(2-ethoxyphenyl)propanamide
CID 30295210
N-[6-(dimethylamino)-3-pyridinyl]-2-(4-methoxyphenoxy)acetamide
CID 46699606
5-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pentanamide
CID 43697910
N-[6-(dimethylamino)-3-pyridinyl]-3-(ethylamino)butanamide
CID 62838640
N-[6-(pentanoylamino)-3-pyridinyl]pentanamide
CID 649725

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[6-(dimethylamino)-3-pyridinyl]butanamide?
The IUPAC name of 4-chloro-N-[6-(dimethylamino)-3-pyridinyl]butanamide (CID 63308097) is 4-chloro-N-[6-(dimethylamino)-3-pyridinyl]butanamide.
What is the SMILES notation for 4-chloro-N-[6-(dimethylamino)-3-pyridinyl]butanamide?
The canonical SMILES for 4-chloro-N-[6-(dimethylamino)-3-pyridinyl]butanamide is CN(C)c1ccc(NC(=O)CCCCl)cn1.
What is the InChIKey of 4-chloro-N-[6-(dimethylamino)-3-pyridinyl]butanamide?
The InChIKey is FYGUYJZIWCPCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-15(2)10-6-5-9(8-13-10)14-11(16)4-3-7-12/h5-6,8H,3-4,7H2,1-2H3,(H,14,16).
What are the key properties of 4-chloro-N-[6-(dimethylamino)-3-pyridinyl]butanamide?
4-chloro-N-[6-(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-[6-(dimethylamino)-3-pyridinyl]butanamide is sourced from PubChem (CID 63308097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).