ethyl 5-amino-2-[methyl(pentyl)amino]pyridine-4-carboxylate

C14H23N3O2 — CID 114090078

IUPACethyl 5-amino-2-[methyl(pentyl)amino]pyridine-4-carboxylate
SMILESCCCCCN(C)c1cc(C(=O)OCC)c(N)cn1
InChIInChI=1S/C14H23N3O2/c1-4-6-7-8-17(3)13-9-11(12(15)10-16-13)14(18)19-5-2/h9-10H,4-8,15H2,1-3H3
InChIKeyDTOCPGSVLFNJRW-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.47
Rot. Bonds7

About ethyl 5-amino-2-[methyl(pentyl)amino]pyridine-4-carboxylate

ethyl 5-amino-2-[methyl(pentyl)amino]pyridine-4-carboxylate (PubChem CID 114090078) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is ethyl 5-amino-2-[methyl(pentyl)amino]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-[methyl(pentyl)amino]pyridine-4-carboxylate
PubChem CID114090078
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nameethyl 5-amino-2-[methyl(pentyl)amino]pyridine-4-carboxylate
SMILESCCCCCN(C)c1cc(C(=O)OCC)c(N)cn1
InChIInChI=1S/C14H23N3O2/c1-4-6-7-8-17(3)13-9-11(12(15)10-16-13)14(18)19-5-2/h9-10H,4-8,15H2,1-3H3
InChIKeyDTOCPGSVLFNJRW-UHFFFAOYSA-N
XLogP2.47
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-amino-2-[propan-2-yl(propyl)amino]pyridine-4-carboxylate
CID 114090076
ethyl 5-amino-2-[cyclopentyl(methyl)amino]pyridine-4-carboxylate
CID 114090073
methyl 5-amino-2-[butyl(ethyl)amino]pyridine-4-carboxylate
CID 114089987
2-N-methyl-2-N-pentylpyrazine-2,5-diamine
CID 80653265
diethyl 2,5-dibutoxybenzene-1,4-dicarboxylate
CID 639937
5-amino-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxamide
CID 114090087
ethyl 2-amino-5-(dibutylamino)benzoate
CID 63425143
ethyl 5-amino-2-[methyl(3-methylsulfanylpropyl)amino]pyridine-3-carboxylate
CID 114238201
4-amino-N,6-dimethyl-N-pentylpyridine-3-carboxamide
CID 81236445
5-amino-2-[methyl(pentyl)amino]pyridine-3-carboxamide
CID 61358598
ethyl 2-amino-5-[3-(dimethylamino)propoxy]benzoate
CID 61307433
5-amino-2-[2-(dimethylamino)ethyl-propylamino]pyridine-4-carboxamide
CID 114090298

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-[methyl(pentyl)amino]pyridine-4-carboxylate?
The IUPAC name of ethyl 5-amino-2-[methyl(pentyl)amino]pyridine-4-carboxylate (CID 114090078) is ethyl 5-amino-2-[methyl(pentyl)amino]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-[methyl(pentyl)amino]pyridine-4-carboxylate?
The canonical SMILES for ethyl 5-amino-2-[methyl(pentyl)amino]pyridine-4-carboxylate is CCCCCN(C)c1cc(C(=O)OCC)c(N)cn1.
What is the InChIKey of ethyl 5-amino-2-[methyl(pentyl)amino]pyridine-4-carboxylate?
The InChIKey is DTOCPGSVLFNJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-6-7-8-17(3)13-9-11(12(15)10-16-13)14(18)19-5-2/h9-10H,4-8,15H2,1-3H3.
What are the key properties of ethyl 5-amino-2-[methyl(pentyl)amino]pyridine-4-carboxylate?
ethyl 5-amino-2-[methyl(pentyl)amino]pyridine-4-carboxylate has a molecular weight of 265.36 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-[methyl(pentyl)amino]pyridine-4-carboxylate is sourced from PubChem (CID 114090078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).