2-[[6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide

C12H20N4O — CID 80787440

IUPAC2-[[6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1cccc(NCC)n1
InChIInChI=1S/C12H20N4O/c1-3-8-14-12(17)9-15-11-7-5-6-10(16-11)13-4-2/h5-7H,3-4,8-9H2,1-2H3,(H,14,17)(H2,13,15,16)
InChIKeyWMTRWJVZFNNRFS-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.45
Rot. Bonds7

About 2-[[6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide

2-[[6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide (PubChem CID 80787440) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[[6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide
PubChem CID80787440
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[[6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1cccc(NCC)n1
InChIInChI=1S/C12H20N4O/c1-3-8-14-12(17)9-15-11-7-5-6-10(16-11)13-4-2/h5-7H,3-4,8-9H2,1-2H3,(H,14,17)(H2,13,15,16)
InChIKeyWMTRWJVZFNNRFS-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

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Related Compounds

2-[[6-(ethylamino)pyrazin-2-yl]amino]-N-propylacetamide
CID 78990280
N-propyl-3-[[6-(propylamino)-2-pyridinyl]amino]propanamide
CID 80819033
2-[(6-chloro-2-pyridinyl)amino]-N-ethylacetamide
CID 63588208
6-[[2-(ethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
CID 62238851
N-(2-methoxyethyl)-2-[[6-(methylamino)-2-pyridinyl]amino]acetamide
CID 113405783
methyl 2-[[6-(propylamino)-2-pyridinyl]amino]acetate
CID 80778103
N-propyl-2-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80942500
N-[2-(ethylamino)-2-oxoethyl]-6-(propylamino)pyridine-2-carboxamide
CID 55052141
2-(2,6-dibromoanilino)-N-propylacetamide
CID 107598911
3-[2-[[6-(ethylamino)-2-pyridinyl]amino]ethyl]-1,1-dimethylurea
CID 83117476
2-[(1-chloroisoquinolin-3-yl)amino]-N-propylacetamide
CID 133383027
2-[(4-amino-1,3-benzoxazol-2-yl)amino]-N-propylacetamide
CID 79891169

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide?
The IUPAC name of 2-[[6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide (CID 80787440) is 2-[[6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide?
The canonical SMILES for 2-[[6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide is CCCNC(=O)CNc1cccc(NCC)n1.
What is the InChIKey of 2-[[6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide?
The InChIKey is WMTRWJVZFNNRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-8-14-12(17)9-15-11-7-5-6-10(16-11)13-4-2/h5-7H,3-4,8-9H2,1-2H3,(H,14,17)(H2,13,15,16).
What are the key properties of 2-[[6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide?
2-[[6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide 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 2-[[6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide is sourced from PubChem (CID 80787440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).