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

C12H18Cl2N4O — CID 102759989

IUPAC3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]butanamide
SMILESCCCNc1nc(NC(C)CC(N)=O)c(Cl)cc1Cl
InChIInChI=1S/C12H18Cl2N4O/c1-3-4-16-11-8(13)6-9(14)12(18-11)17-7(2)5-10(15)19/h6-7H,3-5H2,1-2H3,(H2,15,19)(H2,16,17,18)
InChIKeyQBPAIVNMHHSLOP-UHFFFAOYSA-N
MW305.21 g/mol
LogP2.89
Rot. Bonds7

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

3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]butanamide (PubChem CID 102759989) has the molecular formula C12H18Cl2N4O and a molecular weight of 305.21 g/mol. Its IUPAC name is 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]butanamide.

Molecular Properties

Compound Name3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]butanamide
PubChem CID102759989
Molecular FormulaC12H18Cl2N4O
Molecular Weight305.21 g/mol
Exact Mass304.09
IUPAC Name3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]butanamide
SMILESCCCNc1nc(NC(C)CC(N)=O)c(Cl)cc1Cl
InChIInChI=1S/C12H18Cl2N4O/c1-3-4-16-11-8(13)6-9(14)12(18-11)17-7(2)5-10(15)19/h6-7H,3-5H2,1-2H3,(H2,15,19)(H2,16,17,18)
InChIKeyQBPAIVNMHHSLOP-UHFFFAOYSA-N
XLogP2.89
TPSA80.04 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 ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-6-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyridine-2,6-diamine
CID 102759419
2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-N-methylpropanamide
CID 102756844
3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylbutan-1-ol
CID 102759896
3,5-dichloro-6-N-(1-cyclopentylethyl)-2-N-propylpyridine-2,6-diamine
CID 102758469
3,5-dichloro-2-N-ethyl-6-N-pentan-2-ylpyridine-2,6-diamine
CID 102755564
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
3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanamide
CID 103330356
3,5-dichloro-6-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-N-propylpyridine-2,6-diamine
CID 106390393
3-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanamide
CID 103330351
2-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]propan-1-ol
CID 102761595
3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butanamide
CID 114565928

Frequently Asked Questions

What is the IUPAC name of 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]butanamide?
The IUPAC name of 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]butanamide (CID 102759989) is 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]butanamide.
What is the SMILES notation for 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]butanamide?
The canonical SMILES for 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]butanamide is CCCNc1nc(NC(C)CC(N)=O)c(Cl)cc1Cl.
What is the InChIKey of 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]butanamide?
The InChIKey is QBPAIVNMHHSLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N4O/c1-3-4-16-11-8(13)6-9(14)12(18-11)17-7(2)5-10(15)19/h6-7H,3-5H2,1-2H3,(H2,15,19)(H2,16,17,18).
What are the key properties of 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]butanamide?
3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]butanamide has a molecular weight of 305.21 g/mol, XLogP of 2.89, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]butanamide is sourced from PubChem (CID 102759989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).