2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-N-methylpropanamide

C12H18Cl2N4O — CID 102756844

IUPAC2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-N-methylpropanamide
SMILESCCCNc1nc(NC(C)C(=O)NC)c(Cl)cc1Cl
InChIInChI=1S/C12H18Cl2N4O/c1-4-5-16-10-8(13)6-9(14)11(18-10)17-7(2)12(19)15-3/h6-7H,4-5H2,1-3H3,(H,15,19)(H2,16,17,18)
InChIKeyGCJDIGJXWXEWIV-UHFFFAOYSA-N
MW305.21 g/mol
LogP2.76
Rot. Bonds6

About 2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-N-methylpropanamide

2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-N-methylpropanamide (PubChem CID 102756844) has the molecular formula C12H18Cl2N4O and a molecular weight of 305.21 g/mol. Its IUPAC name is 2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-N-methylpropanamide
PubChem CID102756844
Molecular FormulaC12H18Cl2N4O
Molecular Weight305.21 g/mol
Exact Mass304.09
IUPAC Name2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-N-methylpropanamide
SMILESCCCNc1nc(NC(C)C(=O)NC)c(Cl)cc1Cl
InChIInChI=1S/C12H18Cl2N4O/c1-4-5-16-10-8(13)6-9(14)11(18-10)17-7(2)12(19)15-3/h6-7H,4-5H2,1-3H3,(H,15,19)(H2,16,17,18)
InChIKeyGCJDIGJXWXEWIV-UHFFFAOYSA-N
XLogP2.76
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
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

2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N-methylpropanamide
CID 102756840
3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]butanamide
CID 102759989
2-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-N-methylpropanamide
CID 102756838
N-tert-butyl-2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]propanamide
CID 102759658
3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylbutan-1-ol
CID 102759896
3,5-dichloro-6-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyridine-2,6-diamine
CID 102759419
3,5-dichloro-6-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-N-propylpyridine-2,6-diamine
CID 106390393
3,5-dichloro-6-N-(1-cyclopentylethyl)-2-N-propylpyridine-2,6-diamine
CID 102758469
2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N-(2-methoxyethyl)propanamide
CID 102759668
5-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylpentan-1-ol
CID 106163265
3,5-dichloro-6-N-(3-fluoropropyl)-2-N-propylpyridine-2,6-diamine
CID 114267273
2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]propan-1-ol
CID 102761595

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-N-methylpropanamide?
The IUPAC name of 2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-N-methylpropanamide (CID 102756844) is 2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-N-methylpropanamide.
What is the SMILES notation for 2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-N-methylpropanamide?
The canonical SMILES for 2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-N-methylpropanamide is CCCNc1nc(NC(C)C(=O)NC)c(Cl)cc1Cl.
What is the InChIKey of 2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-N-methylpropanamide?
The InChIKey is GCJDIGJXWXEWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N4O/c1-4-5-16-10-8(13)6-9(14)11(18-10)17-7(2)12(19)15-3/h6-7H,4-5H2,1-3H3,(H,15,19)(H2,16,17,18).
What are the key properties of 2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-N-methylpropanamide?
2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-N-methylpropanamide has a molecular weight of 305.21 g/mol, XLogP of 2.76, 6 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-(propylamino)-2-pyridinyl]amino]-N-methylpropanamide is sourced from PubChem (CID 102756844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).