4-chloro-N,N-dipyridin-2-ylbutanamide

C14H14ClN3O — CID 141179045

IUPAC4-chloro-N,N-dipyridin-2-ylbutanamide
SMILESO=C(CCCCl)N(c1ccccn1)c1ccccn1
InChIInChI=1S/C14H14ClN3O/c15-9-5-8-14(19)18(12-6-1-3-10-16-12)13-7-2-4-11-17-13/h1-4,6-7,10-11H,5,8-9H2
InChIKeySGJPFAXTDBFMGG-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.16
Rot. Bonds5

About 4-chloro-N,N-dipyridin-2-ylbutanamide

4-chloro-N,N-dipyridin-2-ylbutanamide (PubChem CID 141179045) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 4-chloro-N,N-dipyridin-2-ylbutanamide.

Molecular Properties

Compound Name4-chloro-N,N-dipyridin-2-ylbutanamide
PubChem CID141179045
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name4-chloro-N,N-dipyridin-2-ylbutanamide
SMILESO=C(CCCCl)N(c1ccccn1)c1ccccn1
InChIInChI=1S/C14H14ClN3O/c15-9-5-8-14(19)18(12-6-1-3-10-16-12)13-7-2-4-11-17-13/h1-4,6-7,10-11H,5,8-9H2
InChIKeySGJPFAXTDBFMGG-UHFFFAOYSA-N
XLogP3.16
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-N,N-dipyridin-2-ylbutanamide 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

5-chloro-N,N-dipyridin-2-ylpentanamide
CID 141179043
N,N-dipyridin-2-yl-3-sulfanylpropanamide
CID 143415756
4-chloro-N-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 63309527
5-chloro-N-methyl-N-(pyridin-2-ylmethyl)pentanamide
CID 43565136
N,2-diphenyl-N-pyridin-2-ylacetamide
CID 24832254
3-chloro-N,N-diphenylpropanamide
CID 3331408
2,2-dimethyl-N,N-dipyridin-2-ylpropanamide
CID 66628090
N-cyclopropyl-N-pyridin-2-ylpentanamide
CID 110723068
ethyl N-phenyl-N-pyridin-2-ylcarbamate
CID 2783435
4-chloro-N-methyl-N-phenylbutanamide
CID 16780864
1-(2-chlorophenyl)-1-pyridin-2-ylurea
CID 141493026
ethyl 3-[(5-chloropentylamino)-pyridin-2-ylamino]-3-oxopropanoate
CID 175436427

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dipyridin-2-ylbutanamide?
The IUPAC name of 4-chloro-N,N-dipyridin-2-ylbutanamide (CID 141179045) is 4-chloro-N,N-dipyridin-2-ylbutanamide.
What is the SMILES notation for 4-chloro-N,N-dipyridin-2-ylbutanamide?
The canonical SMILES for 4-chloro-N,N-dipyridin-2-ylbutanamide is O=C(CCCCl)N(c1ccccn1)c1ccccn1.
What is the InChIKey of 4-chloro-N,N-dipyridin-2-ylbutanamide?
The InChIKey is SGJPFAXTDBFMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c15-9-5-8-14(19)18(12-6-1-3-10-16-12)13-7-2-4-11-17-13/h1-4,6-7,10-11H,5,8-9H2.
What are the key properties of 4-chloro-N,N-dipyridin-2-ylbutanamide?
4-chloro-N,N-dipyridin-2-ylbutanamide has a molecular weight of 275.74 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dipyridin-2-ylbutanamide is sourced from PubChem (CID 141179045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).