methyl 2-[[6-(ethylamino)-2-pyridinyl]amino]-4-methylpentanoate

C14H23N3O2 — CID 80812300

IUPACmethyl 2-[[6-(ethylamino)-2-pyridinyl]amino]-4-methylpentanoate
SMILESCCNc1cccc(NC(CC(C)C)C(=O)OC)n1
InChIInChI=1S/C14H23N3O2/c1-5-15-12-7-6-8-13(17-12)16-11(9-10(2)3)14(18)19-4/h6-8,10-11H,5,9H2,1-4H3,(H2,15,16,17)
InChIKeyWSKKLNLNEGOLEK-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.51
Rot. Bonds7

About methyl 2-[[6-(ethylamino)-2-pyridinyl]amino]-4-methylpentanoate

methyl 2-[[6-(ethylamino)-2-pyridinyl]amino]-4-methylpentanoate (PubChem CID 80812300) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is methyl 2-[[6-(ethylamino)-2-pyridinyl]amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[[6-(ethylamino)-2-pyridinyl]amino]-4-methylpentanoate
PubChem CID80812300
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Namemethyl 2-[[6-(ethylamino)-2-pyridinyl]amino]-4-methylpentanoate
SMILESCCNc1cccc(NC(CC(C)C)C(=O)OC)n1
InChIInChI=1S/C14H23N3O2/c1-5-15-12-7-6-8-13(17-12)16-11(9-10(2)3)14(18)19-4/h6-8,10-11H,5,9H2,1-4H3,(H2,15,16,17)
InChIKeyWSKKLNLNEGOLEK-UHFFFAOYSA-N
XLogP2.51
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(6-cyano-2-pyridinyl)amino]-4-methylpentanoate
CID 64588746
methyl 2-[[6-(propylamino)-2-pyridinyl]amino]propanoate
CID 80801764
methyl 2-[(2-hydrazinylpyrimidin-4-yl)amino]-4-methylpentanoate
CID 80904150
methyl 4-methyl-2-[(3-methylquinoxalin-2-yl)amino]pentanoate
CID 62375037
methyl 2-[(6-amino-5-nitro-2-pyridinyl)amino]-4-methylpentanoate
CID 79826081
2-N-ethyl-6-N-(6-methylheptan-2-yl)pyridine-2,6-diamine
CID 80800465
methyl 2-(2-methoxyanilino)-4-methylpentanoate
CID 54890361
methyl 2-(2-amino-3-sulfamoylanilino)-4-methylpentanoate
CID 115992567
methyl 4-methyl-2-[(3-methyl-2-pyridinyl)amino]pentanoate
CID 62254768
6-N-(4-methylpentan-2-yl)-2-N-propylpyridine-2,6-diamine
CID 80783247
methyl 4-methyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]pentanoate
CID 80812205
methyl 3-methyl-2-[[6-(methylamino)-2-pyridinyl]amino]butanoate
CID 80811711

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-(ethylamino)-2-pyridinyl]amino]-4-methylpentanoate?
The IUPAC name of methyl 2-[[6-(ethylamino)-2-pyridinyl]amino]-4-methylpentanoate (CID 80812300) is methyl 2-[[6-(ethylamino)-2-pyridinyl]amino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[[6-(ethylamino)-2-pyridinyl]amino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[[6-(ethylamino)-2-pyridinyl]amino]-4-methylpentanoate is CCNc1cccc(NC(CC(C)C)C(=O)OC)n1.
What is the InChIKey of methyl 2-[[6-(ethylamino)-2-pyridinyl]amino]-4-methylpentanoate?
The InChIKey is WSKKLNLNEGOLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-5-15-12-7-6-8-13(17-12)16-11(9-10(2)3)14(18)19-4/h6-8,10-11H,5,9H2,1-4H3,(H2,15,16,17).
What are the key properties of methyl 2-[[6-(ethylamino)-2-pyridinyl]amino]-4-methylpentanoate?
methyl 2-[[6-(ethylamino)-2-pyridinyl]amino]-4-methylpentanoate has a molecular weight of 265.36 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-(ethylamino)-2-pyridinyl]amino]-4-methylpentanoate is sourced from PubChem (CID 80812300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).