2-[[5-(ethylamino)-3-pyridinyl]amino]-N-propan-2-ylacetamide

C12H20N4O — CID 113423726

IUPAC2-[[5-(ethylamino)-3-pyridinyl]amino]-N-propan-2-ylacetamide
SMILESCCNc1cncc(NCC(=O)NC(C)C)c1
InChIInChI=1S/C12H20N4O/c1-4-14-10-5-11(7-13-6-10)15-8-12(17)16-9(2)3/h5-7,9,14-15H,4,8H2,1-3H3,(H,16,17)
InChIKeyHYAPUYNDHBSMEN-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.45
Rot. Bonds6

About 2-[[5-(ethylamino)-3-pyridinyl]amino]-N-propan-2-ylacetamide

2-[[5-(ethylamino)-3-pyridinyl]amino]-N-propan-2-ylacetamide (PubChem CID 113423726) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[[5-(ethylamino)-3-pyridinyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[5-(ethylamino)-3-pyridinyl]amino]-N-propan-2-ylacetamide
PubChem CID113423726
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[[5-(ethylamino)-3-pyridinyl]amino]-N-propan-2-ylacetamide
SMILESCCNc1cncc(NCC(=O)NC(C)C)c1
InChIInChI=1S/C12H20N4O/c1-4-14-10-5-11(7-13-6-10)15-8-12(17)16-9(2)3/h5-7,9,14-15H,4,8H2,1-3H3,(H,16,17)
InChIKeyHYAPUYNDHBSMEN-UHFFFAOYSA-N
XLogP1.45
TPSA66.05 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 ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[[5-(propylamino)-3-pyridinyl]amino]acetamide
CID 113423725
2-(3,5-dichloroanilino)-N-propan-2-ylacetamide
CID 28576141
2-(4-ethylanilino)-N-propan-2-ylacetamide
CID 28583181
3-N-ethyl-5-N-(4-methylpentyl)pyridine-3,5-diamine
CID 104534461
2-(3-ethylanilino)-N-propan-2-ylacetamide
CID 28584308
2-(3-ethyl-4-methylanilino)-N-propan-2-ylacetamide
CID 114250238
2-(4-bromoanilino)-N-propan-2-ylacetamide
CID 17401945
3-[2-[[5-(ethylamino)-3-pyridinyl]amino]ethyl]-1,1-dimethylurea
CID 104535691
2-(4-propanoylanilino)-N-propan-2-ylacetamide
CID 114066654
N-butan-2-yl-3-[[5-(methylamino)-3-pyridinyl]amino]propanamide
CID 113423927
5-N-butyl-3-N-ethylpyridine-3,5-diamine
CID 104532629
5-N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-N-ethylpyridine-3,5-diamine
CID 104533595

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(ethylamino)-3-pyridinyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[5-(ethylamino)-3-pyridinyl]amino]-N-propan-2-ylacetamide (CID 113423726) is 2-[[5-(ethylamino)-3-pyridinyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[5-(ethylamino)-3-pyridinyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[5-(ethylamino)-3-pyridinyl]amino]-N-propan-2-ylacetamide is CCNc1cncc(NCC(=O)NC(C)C)c1.
What is the InChIKey of 2-[[5-(ethylamino)-3-pyridinyl]amino]-N-propan-2-ylacetamide?
The InChIKey is HYAPUYNDHBSMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-14-10-5-11(7-13-6-10)15-8-12(17)16-9(2)3/h5-7,9,14-15H,4,8H2,1-3H3,(H,16,17).
What are the key properties of 2-[[5-(ethylamino)-3-pyridinyl]amino]-N-propan-2-ylacetamide?
2-[[5-(ethylamino)-3-pyridinyl]amino]-N-propan-2-ylacetamide has a molecular weight of 236.32 g/mol, XLogP of 1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(ethylamino)-3-pyridinyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 113423726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).