3-[[6-(ethylamino)-2-pyridinyl]amino]-N,N-dimethylpropanamide

C12H20N4O — CID 80813274

IUPAC3-[[6-(ethylamino)-2-pyridinyl]amino]-N,N-dimethylpropanamide
SMILESCCNc1cccc(NCCC(=O)N(C)C)n1
InChIInChI=1S/C12H20N4O/c1-4-13-10-6-5-7-11(15-10)14-9-8-12(17)16(2)3/h5-7H,4,8-9H2,1-3H3,(H2,13,14,15)
InChIKeyIQNZNVPHPNTBOV-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.40
Rot. Bonds6

About 3-[[6-(ethylamino)-2-pyridinyl]amino]-N,N-dimethylpropanamide

3-[[6-(ethylamino)-2-pyridinyl]amino]-N,N-dimethylpropanamide (PubChem CID 80813274) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-[[6-(ethylamino)-2-pyridinyl]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[[6-(ethylamino)-2-pyridinyl]amino]-N,N-dimethylpropanamide
PubChem CID80813274
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-[[6-(ethylamino)-2-pyridinyl]amino]-N,N-dimethylpropanamide
SMILESCCNc1cccc(NCCC(=O)N(C)C)n1
InChIInChI=1S/C12H20N4O/c1-4-13-10-6-5-7-11(15-10)14-9-8-12(17)16(2)3/h5-7H,4,8-9H2,1-3H3,(H2,13,14,15)
InChIKeyIQNZNVPHPNTBOV-UHFFFAOYSA-N
XLogP1.40
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-[(6-methyl-2-pyridinyl)amino]propanamide
CID 60926392
3-[(6-methoxy-2-pyridinyl)amino]-N,N-dimethylpropanamide
CID 63590933
3-[2-[[6-(ethylamino)-2-pyridinyl]amino]ethyl]-1,1-dimethylurea
CID 83117476
3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-N,N-dimethylpropanamide
CID 80814270
N,N-dimethyl-3-[[2-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80813999
2-N-ethyl-6-N-(2-fluoroethyl)pyridine-2,6-diamine
CID 130505047
N,N-dimethyl-3-[(2-propan-2-ylpyrimidin-4-yl)amino]propanamide
CID 133297213
3-(4-tert-butylanilino)-N,N-dimethylpropanamide
CID 54879290
N-propyl-3-[[6-(propylamino)-2-pyridinyl]amino]propanamide
CID 80819033
3-anilino-N,N-dimethylpropanamide
CID 60961994
2-[[6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide
CID 80787440
3-[(6-chloro-2-propylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80938791

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(ethylamino)-2-pyridinyl]amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[[6-(ethylamino)-2-pyridinyl]amino]-N,N-dimethylpropanamide (CID 80813274) is 3-[[6-(ethylamino)-2-pyridinyl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[[6-(ethylamino)-2-pyridinyl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[[6-(ethylamino)-2-pyridinyl]amino]-N,N-dimethylpropanamide is CCNc1cccc(NCCC(=O)N(C)C)n1.
What is the InChIKey of 3-[[6-(ethylamino)-2-pyridinyl]amino]-N,N-dimethylpropanamide?
The InChIKey is IQNZNVPHPNTBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-13-10-6-5-7-11(15-10)14-9-8-12(17)16(2)3/h5-7H,4,8-9H2,1-3H3,(H2,13,14,15).
What are the key properties of 3-[[6-(ethylamino)-2-pyridinyl]amino]-N,N-dimethylpropanamide?
3-[[6-(ethylamino)-2-pyridinyl]amino]-N,N-dimethylpropanamide has a molecular weight of 236.32 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(ethylamino)-2-pyridinyl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 80813274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).