2-[ethyl-[6-(methylamino)-2-pyridinyl]amino]-N-propan-2-ylacetamide

C13H22N4O — CID 80805603

IUPAC2-[ethyl-[6-(methylamino)-2-pyridinyl]amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1cccc(NC)n1
InChIInChI=1S/C13H22N4O/c1-5-17(9-13(18)15-10(2)3)12-8-6-7-11(14-4)16-12/h6-8,10H,5,9H2,1-4H3,(H,14,16)(H,15,18)
InChIKeyXIXYWBQLUYPFLZ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.47
Rot. Bonds6

About 2-[ethyl-[6-(methylamino)-2-pyridinyl]amino]-N-propan-2-ylacetamide

2-[ethyl-[6-(methylamino)-2-pyridinyl]amino]-N-propan-2-ylacetamide (PubChem CID 80805603) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[ethyl-[6-(methylamino)-2-pyridinyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[ethyl-[6-(methylamino)-2-pyridinyl]amino]-N-propan-2-ylacetamide
PubChem CID80805603
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[ethyl-[6-(methylamino)-2-pyridinyl]amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1cccc(NC)n1
InChIInChI=1S/C13H22N4O/c1-5-17(9-13(18)15-10(2)3)12-8-6-7-11(14-4)16-12/h6-8,10H,5,9H2,1-4H3,(H,14,16)(H,15,18)
InChIKeyXIXYWBQLUYPFLZ-UHFFFAOYSA-N
XLogP1.47
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[6-(aminomethyl)-2-pyridinyl]-ethylamino]-N-propan-2-ylacetamide
CID 64589162
2-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]-N-propan-2-ylacetamide
CID 113412169
2-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl-ethylamino]-N-propan-2-ylacetamide
CID 62890643
2-[ethyl-[(6-hydrazinyl-2-pyridinyl)methyl]amino]-N-propan-2-ylacetamide
CID 79242850
6-N-(2-ethoxyethyl)-6-N-ethyl-2-N-methylpyridine-2,6-diamine
CID 80834417
6-N-ethyl-6-N-(2-methoxyethyl)-2-N-methylpyridine-2,6-diamine
CID 80809532
6-N-[3-(diethylamino)propyl]-6-N-ethyl-2-N-methylpyridine-2,6-diamine
CID 102998950
6-N-ethyl-2-N,6-N-dimethylpyridine-2,6-diamine
CID 80774981
2-[ethyl-[5-(hydroxymethyl)-2-pyridinyl]amino]-N-propan-2-ylacetamide
CID 80632069
2-[(6-bromo-7-fluoroquinolin-2-yl)-ethylamino]-N-propan-2-ylacetamide
CID 133382196
2-[3-chloro-N-ethyl-2-(hydroxymethyl)anilino]-N-propan-2-ylacetamide
CID 54986481
2-N-tert-butyl-6-N-ethyl-6-N-(2-methylpropyl)pyridine-2,6-diamine
CID 113323698

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[6-(methylamino)-2-pyridinyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[ethyl-[6-(methylamino)-2-pyridinyl]amino]-N-propan-2-ylacetamide (CID 80805603) is 2-[ethyl-[6-(methylamino)-2-pyridinyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[ethyl-[6-(methylamino)-2-pyridinyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[ethyl-[6-(methylamino)-2-pyridinyl]amino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)c1cccc(NC)n1.
What is the InChIKey of 2-[ethyl-[6-(methylamino)-2-pyridinyl]amino]-N-propan-2-ylacetamide?
The InChIKey is XIXYWBQLUYPFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-5-17(9-13(18)15-10(2)3)12-8-6-7-11(14-4)16-12/h6-8,10H,5,9H2,1-4H3,(H,14,16)(H,15,18).
What are the key properties of 2-[ethyl-[6-(methylamino)-2-pyridinyl]amino]-N-propan-2-ylacetamide?
2-[ethyl-[6-(methylamino)-2-pyridinyl]amino]-N-propan-2-ylacetamide has a molecular weight of 250.35 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[6-(methylamino)-2-pyridinyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 80805603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).