2-[(3-chloro-4-pyridinyl)amino]-N-methylacetamide

C8H10ClN3O — CID 79840144

IUPAC2-[(3-chloro-4-pyridinyl)amino]-N-methylacetamide
SMILESCNC(=O)CNc1ccncc1Cl
InChIInChI=1S/C8H10ClN3O/c1-10-8(13)5-12-7-2-3-11-4-6(7)9/h2-4H,5H2,1H3,(H,10,13)(H,11,12)
InChIKeyUJIFBWYQHRDPLN-UHFFFAOYSA-N
MW199.64 g/mol
LogP0.89
Rot. Bonds3

About 2-[(3-chloro-4-pyridinyl)amino]-N-methylacetamide

2-[(3-chloro-4-pyridinyl)amino]-N-methylacetamide (PubChem CID 79840144) has the molecular formula C8H10ClN3O and a molecular weight of 199.64 g/mol. Its IUPAC name is 2-[(3-chloro-4-pyridinyl)amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3-chloro-4-pyridinyl)amino]-N-methylacetamide
PubChem CID79840144
Molecular FormulaC8H10ClN3O
Molecular Weight199.64 g/mol
Exact Mass199.05
IUPAC Name2-[(3-chloro-4-pyridinyl)amino]-N-methylacetamide
SMILESCNC(=O)CNc1ccncc1Cl
InChIInChI=1S/C8H10ClN3O/c1-10-8(13)5-12-7-2-3-11-4-6(7)9/h2-4H,5H2,1H3,(H,10,13)(H,11,12)
InChIKeyUJIFBWYQHRDPLN-UHFFFAOYSA-N
XLogP0.89
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(3-chloro-4-pyridinyl)-2-methylpropane-1,2-diamine
CID 115303812
N-methyl-2-[(8-nitroisoquinolin-5-yl)amino]acetamide
CID 43386255
methyl 6-[(3-chloro-4-pyridinyl)amino]hexanoate
CID 79840643
3-chloro-N-(2-methylsulfinylethyl)pyridin-4-amine
CID 115680988
2-[(5-chloro-1-methylpyrazol-4-yl)amino]-N-methylacetamide
CID 164649869
3-chloro-N-(4-methylpentyl)pyridin-4-amine
CID 79839670
3-chloro-N-(3-methylbutyl)pyridin-4-amine
CID 79769796
2-[(3-chloro-4-pyridinyl)amino]propan-1-ol
CID 79838859
3-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 66464024
3-chloro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 66482781
1-[(3-chloro-4-pyridinyl)amino]-2-methylpentan-2-ol
CID 103736532
3-chloro-N-(4-methoxy-2,2-dimethylbutyl)pyridin-4-amine
CID 104624053

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-pyridinyl)amino]-N-methylacetamide?
The IUPAC name of 2-[(3-chloro-4-pyridinyl)amino]-N-methylacetamide (CID 79840144) is 2-[(3-chloro-4-pyridinyl)amino]-N-methylacetamide.
What is the SMILES notation for 2-[(3-chloro-4-pyridinyl)amino]-N-methylacetamide?
The canonical SMILES for 2-[(3-chloro-4-pyridinyl)amino]-N-methylacetamide is CNC(=O)CNc1ccncc1Cl.
What is the InChIKey of 2-[(3-chloro-4-pyridinyl)amino]-N-methylacetamide?
The InChIKey is UJIFBWYQHRDPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O/c1-10-8(13)5-12-7-2-3-11-4-6(7)9/h2-4H,5H2,1H3,(H,10,13)(H,11,12).
What are the key properties of 2-[(3-chloro-4-pyridinyl)amino]-N-methylacetamide?
2-[(3-chloro-4-pyridinyl)amino]-N-methylacetamide has a molecular weight of 199.64 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-pyridinyl)amino]-N-methylacetamide is sourced from PubChem (CID 79840144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).