ethyl 5-amino-2-[propan-2-yl(propyl)amino]pyridine-4-carboxylate

C14H23N3O2 — CID 114090076

IUPACethyl 5-amino-2-[propan-2-yl(propyl)amino]pyridine-4-carboxylate
SMILESCCCN(c1cc(C(=O)OCC)c(N)cn1)C(C)C
InChIInChI=1S/C14H23N3O2/c1-5-7-17(10(3)4)13-8-11(12(15)9-16-13)14(18)19-6-2/h8-10H,5-7,15H2,1-4H3
InChIKeyFJLHNJNDVMHRQJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.47
Rot. Bonds6

About ethyl 5-amino-2-[propan-2-yl(propyl)amino]pyridine-4-carboxylate

ethyl 5-amino-2-[propan-2-yl(propyl)amino]pyridine-4-carboxylate (PubChem CID 114090076) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is ethyl 5-amino-2-[propan-2-yl(propyl)amino]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-[propan-2-yl(propyl)amino]pyridine-4-carboxylate
PubChem CID114090076
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nameethyl 5-amino-2-[propan-2-yl(propyl)amino]pyridine-4-carboxylate
SMILESCCCN(c1cc(C(=O)OCC)c(N)cn1)C(C)C
InChIInChI=1S/C14H23N3O2/c1-5-7-17(10(3)4)13-8-11(12(15)9-16-13)14(18)19-6-2/h8-10H,5-7,15H2,1-4H3
InChIKeyFJLHNJNDVMHRQJ-UHFFFAOYSA-N
XLogP2.47
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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

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Related Compounds

ethyl 5-amino-2-[methyl(pentyl)amino]pyridine-4-carboxylate
CID 114090078
ethyl 2-amino-5-[propan-2-yl(propyl)amino]benzoate
CID 61307358
ethyl 5-amino-2-[cyclopentyl(methyl)amino]pyridine-4-carboxylate
CID 114090073
methyl 5-amino-2-[methyl(pentan-2-yl)amino]pyridine-4-carboxylate
CID 114090125
methyl 5-amino-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboxylate
CID 114090067
methyl 5-amino-2-[butyl(ethyl)amino]pyridine-4-carboxylate
CID 114089987
ethyl 5-amino-2-(2-ethoxypropylamino)pyridine-4-carboxylate
CID 114090593
methyl 5-amino-2-[2-(dimethylamino)ethyl-methylamino]pyridine-4-carboxylate
CID 114090370
ethyl 2-amino-5-[butan-2-yl(butyl)amino]benzoate
CID 63423618
[5-chloro-2-[propan-2-yl(propyl)amino]-4-pyridinyl]methanol
CID 114920224
3-[(4-amino-5-methyl-2-pyridinyl)-propan-2-ylamino]propan-1-ol
CID 83266014
ethyl 5-(dipropylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 47141011

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-[propan-2-yl(propyl)amino]pyridine-4-carboxylate?
The IUPAC name of ethyl 5-amino-2-[propan-2-yl(propyl)amino]pyridine-4-carboxylate (CID 114090076) is ethyl 5-amino-2-[propan-2-yl(propyl)amino]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-[propan-2-yl(propyl)amino]pyridine-4-carboxylate?
The canonical SMILES for ethyl 5-amino-2-[propan-2-yl(propyl)amino]pyridine-4-carboxylate is CCCN(c1cc(C(=O)OCC)c(N)cn1)C(C)C.
What is the InChIKey of ethyl 5-amino-2-[propan-2-yl(propyl)amino]pyridine-4-carboxylate?
The InChIKey is FJLHNJNDVMHRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-5-7-17(10(3)4)13-8-11(12(15)9-16-13)14(18)19-6-2/h8-10H,5-7,15H2,1-4H3.
What are the key properties of ethyl 5-amino-2-[propan-2-yl(propyl)amino]pyridine-4-carboxylate?
ethyl 5-amino-2-[propan-2-yl(propyl)amino]pyridine-4-carboxylate has a molecular weight of 265.36 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-[propan-2-yl(propyl)amino]pyridine-4-carboxylate is sourced from PubChem (CID 114090076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).