N-ethyl-2-[[5-(methylamino)-3-pyridinyl]amino]propanamide

C11H18N4O — CID 104533495

IUPACN-ethyl-2-[[5-(methylamino)-3-pyridinyl]amino]propanamide
SMILESCCNC(=O)C(C)Nc1cncc(NC)c1
InChIInChI=1S/C11H18N4O/c1-4-14-11(16)8(2)15-10-5-9(12-3)6-13-7-10/h5-8,12,15H,4H2,1-3H3,(H,14,16)
InChIKeyDZTYEGZOAGIPHG-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.06
Rot. Bonds5

About N-ethyl-2-[[5-(methylamino)-3-pyridinyl]amino]propanamide

N-ethyl-2-[[5-(methylamino)-3-pyridinyl]amino]propanamide (PubChem CID 104533495) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-ethyl-2-[[5-(methylamino)-3-pyridinyl]amino]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[[5-(methylamino)-3-pyridinyl]amino]propanamide
PubChem CID104533495
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-ethyl-2-[[5-(methylamino)-3-pyridinyl]amino]propanamide
SMILESCCNC(=O)C(C)Nc1cncc(NC)c1
InChIInChI=1S/C11H18N4O/c1-4-14-11(16)8(2)15-10-5-9(12-3)6-13-7-10/h5-8,12,15H,4H2,1-3H3,(H,14,16)
InChIKeyDZTYEGZOAGIPHG-UHFFFAOYSA-N
XLogP1.06
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(methylamino)-3-pyridinyl]amino]-N-(2-methylpropyl)propanamide
CID 113424250
N-(2-methylpropyl)-2-[[5-(propylamino)-3-pyridinyl]amino]propanamide
CID 104535813
2-(3,5-dimethylanilino)-N-ethylpropanamide
CID 43086091
N-ethyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 80800769
5-N-(1-ethoxypropan-2-yl)-3-N-methylpyridine-3,5-diamine
CID 104533936
5-N-[1-(dimethylamino)propan-2-yl]-3-N-methylpyridine-3,5-diamine
CID 104535616
N-ethyl-2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]propanamide
CID 43088889
3-N-methyl-5-N-(1-methylsulfonylpropan-2-yl)pyridine-3,5-diamine
CID 104534914
3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide
CID 103603772
2-(4-bromo-3-chloroanilino)-N-ethylpropanamide
CID 107620078
5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 8750450
6-[[1-(ethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid
CID 54959157

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[5-(methylamino)-3-pyridinyl]amino]propanamide?
The IUPAC name of N-ethyl-2-[[5-(methylamino)-3-pyridinyl]amino]propanamide (CID 104533495) is N-ethyl-2-[[5-(methylamino)-3-pyridinyl]amino]propanamide.
What is the SMILES notation for N-ethyl-2-[[5-(methylamino)-3-pyridinyl]amino]propanamide?
The canonical SMILES for N-ethyl-2-[[5-(methylamino)-3-pyridinyl]amino]propanamide is CCNC(=O)C(C)Nc1cncc(NC)c1.
What is the InChIKey of N-ethyl-2-[[5-(methylamino)-3-pyridinyl]amino]propanamide?
The InChIKey is DZTYEGZOAGIPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-4-14-11(16)8(2)15-10-5-9(12-3)6-13-7-10/h5-8,12,15H,4H2,1-3H3,(H,14,16).
What are the key properties of N-ethyl-2-[[5-(methylamino)-3-pyridinyl]amino]propanamide?
N-ethyl-2-[[5-(methylamino)-3-pyridinyl]amino]propanamide has a molecular weight of 222.29 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[5-(methylamino)-3-pyridinyl]amino]propanamide is sourced from PubChem (CID 104533495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).