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

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Related Compounds

N-propyl-2-[(3,5,6-trichloro-2-pyridinyl)amino]acetamide
CID 102750399
2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N-(2-methylpropyl)acetamide
CID 102759622
2-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonylamino]-N-propylacetamide
CID 64601463
2-[(3-chloro-2-pyridinyl)amino]-N-propylacetamide
CID 43402545
2-[(2-chloro-5-methylpyrimidin-4-yl)amino]-N-propylacetamide
CID 79075450
2-[[6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide
CID 80787440
2-[[6-(ethylamino)pyrazin-2-yl]amino]-N-propylacetamide
CID 78990280
2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-N-propylacetamide
CID 63271891
2-[(5-amino-6-chloropyrimidin-4-yl)amino]-N-propylacetamide
CID 63023413
3,5,6-trichloro-N-ethylpyridin-2-amine
CID 102750177
2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propylacetamide
CID 103320685
3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N,2,2-trimethylpropanamide
CID 106280809

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).