2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide

C12H18Cl2N4O — CID 102756189

IUPAC2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1nc(NCC)c(Cl)cc1Cl
InChIInChI=1S/C12H18Cl2N4O/c1-3-5-16-10(19)7-17-12-9(14)6-8(13)11(18-12)15-4-2/h6H,3-5,7H2,1-2H3,(H,16,19)(H2,15,17,18)
InChIKeyLFWNWLIUBPFFDA-UHFFFAOYSA-N
MW305.21 g/mol
LogP2.76
Rot. Bonds7

About 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide

2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide (PubChem CID 102756189) has the molecular formula C12H18Cl2N4O and a molecular weight of 305.21 g/mol. Its IUPAC name is 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide
PubChem CID102756189
Molecular FormulaC12H18Cl2N4O
Molecular Weight305.21 g/mol
Exact Mass304.09
IUPAC Name2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1nc(NCC)c(Cl)cc1Cl
InChIInChI=1S/C12H18Cl2N4O/c1-3-5-16-10(19)7-17-12-9(14)6-8(13)11(18-12)15-4-2/h6H,3-5,7H2,1-2H3,(H,16,19)(H2,15,17,18)
InChIKeyLFWNWLIUBPFFDA-UHFFFAOYSA-N
XLogP2.76
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.21
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide?
The IUPAC name of 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide (CID 102756189) is 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide?
The canonical SMILES for 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide is CCCNC(=O)CNc1nc(NCC)c(Cl)cc1Cl.
What is the InChIKey of 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide?
The InChIKey is LFWNWLIUBPFFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N4O/c1-3-5-16-10(19)7-17-12-9(14)6-8(13)11(18-12)15-4-2/h6H,3-5,7H2,1-2H3,(H,16,19)(H2,15,17,18).
What are the key properties of 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide?
2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide has a molecular weight of 305.21 g/mol, XLogP of 2.76, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide is sourced from PubChem (CID 102756189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).