2-[(2-chloro-3-pyridinyl)methylamino]-N-propylacetamide;hydrochloride

C11H17Cl2N3O — CID 115614180

IUPAC2-[(2-chloro-3-pyridinyl)methylamino]-N-propylacetamide;hydrochloride
SMILESCCCNC(=O)CNCc1cccnc1Cl.Cl
InChIInChI=1S/C11H16ClN3O.ClH/c1-2-5-14-10(16)8-13-7-9-4-3-6-15-11(9)12;/h3-4,6,13H,2,5,7-8H2,1H3,(H,14,16);1H
InChIKeyUUBCEXUJGJJZPP-UHFFFAOYSA-N
MW278.18 g/mol
LogP1.77
Rot. Bonds6

About 2-[(2-chloro-3-pyridinyl)methylamino]-N-propylacetamide;hydrochloride

2-[(2-chloro-3-pyridinyl)methylamino]-N-propylacetamide;hydrochloride (PubChem CID 115614180) has the molecular formula C11H17Cl2N3O and a molecular weight of 278.18 g/mol. Its IUPAC name is 2-[(2-chloro-3-pyridinyl)methylamino]-N-propylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[(2-chloro-3-pyridinyl)methylamino]-N-propylacetamide;hydrochloride
PubChem CID115614180
Molecular FormulaC11H17Cl2N3O
Molecular Weight278.18 g/mol
Exact Mass277.07
IUPAC Name2-[(2-chloro-3-pyridinyl)methylamino]-N-propylacetamide;hydrochloride
SMILESCCCNC(=O)CNCc1cccnc1Cl.Cl
InChIInChI=1S/C11H16ClN3O.ClH/c1-2-5-14-10(16)8-13-7-9-4-3-6-15-11(9)12;/h3-4,6,13H,2,5,7-8H2,1H3,(H,14,16);1H
InChIKeyUUBCEXUJGJJZPP-UHFFFAOYSA-N
XLogP1.77
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)acetamide
CID 66414448
3-[(2-chloro-3-pyridinyl)methylamino]-N-methylpropanamide
CID 115641584
2-[(3-chloro-2-pyridinyl)amino]-N-propylacetamide
CID 43402545
2-chloro-N-propylpyridine-3-carboxamide
CID 4286757
2-[(2-bromo-5-chlorophenyl)methylamino]-N-propylacetamide
CID 66158893
2-[(2-chloro-6-hydroxyphenyl)methylamino]-N-propylacetamide
CID 78959666
2-[(5-chloroquinolin-8-yl)methylamino]-N-ethylacetamide
CID 112699417
2-[[2-(cyanomethoxy)phenyl]methylamino]-N-propylacetamide
CID 43221379
2-[(2-fluoro-3-nitrophenyl)methylamino]-N-propylacetamide
CID 107348960
N-[(2-chloro-3-pyridinyl)methyl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 115614135
N-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)acetamide
CID 63306613
N-(2-methoxyethyl)-2-(quinolin-8-ylmethylamino)acetamide
CID 112723633

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-3-pyridinyl)methylamino]-N-propylacetamide;hydrochloride?
The IUPAC name of 2-[(2-chloro-3-pyridinyl)methylamino]-N-propylacetamide;hydrochloride (CID 115614180) is 2-[(2-chloro-3-pyridinyl)methylamino]-N-propylacetamide;hydrochloride.
What is the SMILES notation for 2-[(2-chloro-3-pyridinyl)methylamino]-N-propylacetamide;hydrochloride?
The canonical SMILES for 2-[(2-chloro-3-pyridinyl)methylamino]-N-propylacetamide;hydrochloride is CCCNC(=O)CNCc1cccnc1Cl.Cl.
What is the InChIKey of 2-[(2-chloro-3-pyridinyl)methylamino]-N-propylacetamide;hydrochloride?
The InChIKey is UUBCEXUJGJJZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O.ClH/c1-2-5-14-10(16)8-13-7-9-4-3-6-15-11(9)12;/h3-4,6,13H,2,5,7-8H2,1H3,(H,14,16);1H.
What are the key properties of 2-[(2-chloro-3-pyridinyl)methylamino]-N-propylacetamide;hydrochloride?
2-[(2-chloro-3-pyridinyl)methylamino]-N-propylacetamide;hydrochloride has a molecular weight of 278.18 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-3-pyridinyl)methylamino]-N-propylacetamide;hydrochloride is sourced from PubChem (CID 115614180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).