N-ethyl-2-[[5-(propylamino)-3-pyridinyl]amino]acetamide

C12H20N4O — CID 113423725

IUPACN-ethyl-2-[[5-(propylamino)-3-pyridinyl]amino]acetamide
SMILESCCCNc1cncc(NCC(=O)NCC)c1
InChIInChI=1S/C12H20N4O/c1-3-5-15-10-6-11(8-13-7-10)16-9-12(17)14-4-2/h6-8,15-16H,3-5,9H2,1-2H3,(H,14,17)
InChIKeyGQCQBVPXGBSHRO-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.45
Rot. Bonds7

About N-ethyl-2-[[5-(propylamino)-3-pyridinyl]amino]acetamide

N-ethyl-2-[[5-(propylamino)-3-pyridinyl]amino]acetamide (PubChem CID 113423725) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-ethyl-2-[[5-(propylamino)-3-pyridinyl]amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[[5-(propylamino)-3-pyridinyl]amino]acetamide
PubChem CID113423725
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-ethyl-2-[[5-(propylamino)-3-pyridinyl]amino]acetamide
SMILESCCCNc1cncc(NCC(=O)NCC)c1
InChIInChI=1S/C12H20N4O/c1-3-5-15-10-6-11(8-13-7-10)16-9-12(17)14-4-2/h6-8,15-16H,3-5,9H2,1-2H3,(H,14,17)
InChIKeyGQCQBVPXGBSHRO-UHFFFAOYSA-N
XLogP1.45
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-ethyl-2-[[5-(propylamino)-3-pyridinyl]amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-[3-nitro-5-(propylamino)anilino]acetamide
CID 80788196
2-[[5-(propylamino)-3-pyridinyl]amino]ethylurea
CID 113424225
2-[[5-(ethylamino)-3-pyridinyl]amino]-N-propan-2-ylacetamide
CID 113423726
3-methyl-3-[[5-(propylamino)-3-pyridinyl]amino]butanamide
CID 106098779
2-[[5-(propylamino)-3-pyridinyl]amino]ethanesulfonamide
CID 104532984
N,N-diethyl-3-[[5-(propylamino)-3-pyridinyl]amino]propanamide
CID 104535849
N-ethyl-2-(3,4,5-trifluoroanilino)acetamide
CID 62810089
2-[[6-(ethylamino)pyrazin-2-yl]amino]-N-propylacetamide
CID 78990280
N-(2-methylpropyl)-2-[[5-(propylamino)-3-pyridinyl]amino]propanamide
CID 104535813
3-[(5-bromo-3-pyridinyl)amino]-N-propylpropanamide
CID 115657144
5-N-pentan-3-yl-3-N-propylpyridine-3,5-diamine
CID 104532563
N-(2-methoxyethyl)-5-(propylamino)pyridine-3-carboxamide
CID 109222970

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[5-(propylamino)-3-pyridinyl]amino]acetamide?
The IUPAC name of N-ethyl-2-[[5-(propylamino)-3-pyridinyl]amino]acetamide (CID 113423725) is N-ethyl-2-[[5-(propylamino)-3-pyridinyl]amino]acetamide.
What is the SMILES notation for N-ethyl-2-[[5-(propylamino)-3-pyridinyl]amino]acetamide?
The canonical SMILES for N-ethyl-2-[[5-(propylamino)-3-pyridinyl]amino]acetamide is CCCNc1cncc(NCC(=O)NCC)c1.
What is the InChIKey of N-ethyl-2-[[5-(propylamino)-3-pyridinyl]amino]acetamide?
The InChIKey is GQCQBVPXGBSHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-5-15-10-6-11(8-13-7-10)16-9-12(17)14-4-2/h6-8,15-16H,3-5,9H2,1-2H3,(H,14,17).
What are the key properties of N-ethyl-2-[[5-(propylamino)-3-pyridinyl]amino]acetamide?
N-ethyl-2-[[5-(propylamino)-3-pyridinyl]amino]acetamide has a molecular weight of 236.32 g/mol, XLogP of 1.45, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[5-(propylamino)-3-pyridinyl]amino]acetamide is sourced from PubChem (CID 113423725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).