ethyl 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pentanoate

C16H26N2O2 — CID 82838965

IUPACethyl 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pentanoate
SMILESCCCC(C(=O)OCC)N(CC)Cc1cccc(C)n1
InChIInChI=1S/C16H26N2O2/c1-5-9-15(16(19)20-7-3)18(6-2)12-14-11-8-10-13(4)17-14/h8,10-11,15H,5-7,9,12H2,1-4H3
InChIKeyRXYCCPDMYXWODC-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.94
Rot. Bonds8

About ethyl 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pentanoate

ethyl 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pentanoate (PubChem CID 82838965) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is ethyl 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pentanoate.

Molecular Properties

Compound Nameethyl 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pentanoate
PubChem CID82838965
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Nameethyl 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pentanoate
SMILESCCCC(C(=O)OCC)N(CC)Cc1cccc(C)n1
InChIInChI=1S/C16H26N2O2/c1-5-9-15(16(19)20-7-3)18(6-2)12-14-11-8-10-13(4)17-14/h8,10-11,15H,5-7,9,12H2,1-4H3
InChIKeyRXYCCPDMYXWODC-UHFFFAOYSA-N
XLogP2.94
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-3-methoxypropanehydrazide
CID 103229759
(2R)-2-amino-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pentanamide
CID 113267614
3-amino-2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol
CID 104711102
3-amino-2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pentan-1-ol
CID 113459497
2-ethoxy-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 79018444
4-amino-N,N-bis[(6-methyl-2-pyridinyl)methyl]pentanamide;trihydrochloride
CID 120566072
2-[(6-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetic acid
CID 79261215
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 23402951
ethyl 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 80568795
3-amino-N-ethyl-2-methoxy-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 114145142
ethyl 2-[(2-amino-2-oxoethyl)-ethylamino]pentanoate
CID 103102891
ethane;N-methyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 143432699

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pentanoate?
The IUPAC name of ethyl 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pentanoate (CID 82838965) is ethyl 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pentanoate.
What is the SMILES notation for ethyl 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pentanoate?
The canonical SMILES for ethyl 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pentanoate is CCCC(C(=O)OCC)N(CC)Cc1cccc(C)n1.
What is the InChIKey of ethyl 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pentanoate?
The InChIKey is RXYCCPDMYXWODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-9-15(16(19)20-7-3)18(6-2)12-14-11-8-10-13(4)17-14/h8,10-11,15H,5-7,9,12H2,1-4H3.
What are the key properties of ethyl 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pentanoate?
ethyl 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pentanoate has a molecular weight of 278.40 g/mol, XLogP of 2.94, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pentanoate is sourced from PubChem (CID 82838965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).