3-[(3-amino-5-methyl-2-pyridinyl)amino]-N-propylpropanamide

C12H20N4O — CID 66281292

IUPAC3-[(3-amino-5-methyl-2-pyridinyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1ncc(C)cc1N
InChIInChI=1S/C12H20N4O/c1-3-5-14-11(17)4-6-15-12-10(13)7-9(2)8-16-12/h7-8H,3-6,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyXDBUGWZPTJGTPW-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.30
Rot. Bonds6

About 3-[(3-amino-5-methyl-2-pyridinyl)amino]-N-propylpropanamide

3-[(3-amino-5-methyl-2-pyridinyl)amino]-N-propylpropanamide (PubChem CID 66281292) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-[(3-amino-5-methyl-2-pyridinyl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(3-amino-5-methyl-2-pyridinyl)amino]-N-propylpropanamide
PubChem CID66281292
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-[(3-amino-5-methyl-2-pyridinyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1ncc(C)cc1N
InChIInChI=1S/C12H20N4O/c1-3-5-14-11(17)4-6-15-12-10(13)7-9(2)8-16-12/h7-8H,3-6,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyXDBUGWZPTJGTPW-UHFFFAOYSA-N
XLogP1.30
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-amino-5-methyl-2-pyridinyl)amino]-N,N-dimethylpropanamide
CID 66280637
3-[(6-amino-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide
CID 80819686
2-[(3-amino-5-methyl-2-pyridinyl)amino]ethyl carbamate
CID 83202225
3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819690
2-N-(2-butoxyethyl)-5-methylpyridine-2,3-diamine
CID 66278004
3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]-N-propylpropanamide
CID 114999049
2-N-[2-[ethyl(propyl)amino]ethyl]-5-methylpyridine-2,3-diamine
CID 114133124
3-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819584
3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819032
3-[(2,5-dichloropyrimidin-4-yl)amino]-N-propylpropanamide
CID 79632812
2-[[3-oxo-3-(propylamino)propyl]amino]pyridine-3-carboxamide
CID 61064041
methyl 5-amino-6-[[3-oxo-3-(propylamino)propyl]amino]pyridine-2-carboxylate
CID 114406226

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-5-methyl-2-pyridinyl)amino]-N-propylpropanamide?
The IUPAC name of 3-[(3-amino-5-methyl-2-pyridinyl)amino]-N-propylpropanamide (CID 66281292) is 3-[(3-amino-5-methyl-2-pyridinyl)amino]-N-propylpropanamide.
What is the SMILES notation for 3-[(3-amino-5-methyl-2-pyridinyl)amino]-N-propylpropanamide?
The canonical SMILES for 3-[(3-amino-5-methyl-2-pyridinyl)amino]-N-propylpropanamide is CCCNC(=O)CCNc1ncc(C)cc1N.
What is the InChIKey of 3-[(3-amino-5-methyl-2-pyridinyl)amino]-N-propylpropanamide?
The InChIKey is XDBUGWZPTJGTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-5-14-11(17)4-6-15-12-10(13)7-9(2)8-16-12/h7-8H,3-6,13H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 3-[(3-amino-5-methyl-2-pyridinyl)amino]-N-propylpropanamide?
3-[(3-amino-5-methyl-2-pyridinyl)amino]-N-propylpropanamide has a molecular weight of 236.32 g/mol, XLogP of 1.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-5-methyl-2-pyridinyl)amino]-N-propylpropanamide is sourced from PubChem (CID 66281292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).