2-[(2-chloro-4-pyridinyl)methyl-propylamino]-N,N-dimethylacetamide

C13H20ClN3O — CID 62305807

IUPAC2-[(2-chloro-4-pyridinyl)methyl-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)Cc1ccnc(Cl)c1
InChIInChI=1S/C13H20ClN3O/c1-4-7-17(10-13(18)16(2)3)9-11-5-6-15-12(14)8-11/h5-6,8H,4,7,9-10H2,1-3H3
InChIKeyXLVCITCISXKKEP-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.04
Rot. Bonds6

About 2-[(2-chloro-4-pyridinyl)methyl-propylamino]-N,N-dimethylacetamide

2-[(2-chloro-4-pyridinyl)methyl-propylamino]-N,N-dimethylacetamide (PubChem CID 62305807) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 2-[(2-chloro-4-pyridinyl)methyl-propylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(2-chloro-4-pyridinyl)methyl-propylamino]-N,N-dimethylacetamide
PubChem CID62305807
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name2-[(2-chloro-4-pyridinyl)methyl-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)Cc1ccnc(Cl)c1
InChIInChI=1S/C13H20ClN3O/c1-4-7-17(10-13(18)16(2)3)9-11-5-6-15-12(14)8-11/h5-6,8H,4,7,9-10H2,1-3H3
InChIKeyXLVCITCISXKKEP-UHFFFAOYSA-N
XLogP2.04
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(2-amino-4-pyridinyl)methyl-ethylamino]-N,N-dimethylacetamide
CID 62465889
3-[(2-chloro-4-pyridinyl)methyl-ethylamino]propan-1-ol
CID 115666093
2-[(2-chloro-4-pyridinyl)-ethylamino]-N,N-dimethylacetamide
CID 102824069
2-[(3-cyanophenyl)methyl-propylamino]-N,N-dimethylacetamide
CID 54978960
N-[(2-chloro-4-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
CID 62470558
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-propylamino]-N,N-dimethylacetamide
CID 107878275
N'-[(2-chloro-4-pyridinyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62472378
methyl 4-[(2-chloro-4-pyridinyl)methyl-methylamino]butanoate
CID 62472398
2-[(6-amino-3-chloro-2-pyridinyl)methyl-propylamino]-N,N-dimethylacetamide
CID 62892210
2-[(2-chloro-4-pyridinyl)methyl-(cyanomethyl)amino]acetonitrile
CID 62469809
2-[(4-cyano-3-methoxyphenyl)methyl-propylamino]-N,N-dimethylacetamide
CID 106788123
2-[[4-(aminomethyl)-2-pyridinyl]-propylamino]-N,N-dimethylacetamide
CID 54984980

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-pyridinyl)methyl-propylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(2-chloro-4-pyridinyl)methyl-propylamino]-N,N-dimethylacetamide (CID 62305807) is 2-[(2-chloro-4-pyridinyl)methyl-propylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(2-chloro-4-pyridinyl)methyl-propylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(2-chloro-4-pyridinyl)methyl-propylamino]-N,N-dimethylacetamide is CCCN(CC(=O)N(C)C)Cc1ccnc(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-pyridinyl)methyl-propylamino]-N,N-dimethylacetamide?
The InChIKey is XLVCITCISXKKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-4-7-17(10-13(18)16(2)3)9-11-5-6-15-12(14)8-11/h5-6,8H,4,7,9-10H2,1-3H3.
What are the key properties of 2-[(2-chloro-4-pyridinyl)methyl-propylamino]-N,N-dimethylacetamide?
2-[(2-chloro-4-pyridinyl)methyl-propylamino]-N,N-dimethylacetamide has a molecular weight of 269.78 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-pyridinyl)methyl-propylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 62305807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).