3-[[ethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyridin-2-amine

C13H19N5O — CID 77081038

IUPAC3-[[ethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyridin-2-amine
SMILESCCc1nnc(CN(CC)Cc2cccnc2N)o1
InChIInChI=1S/C13H19N5O/c1-3-11-16-17-12(19-11)9-18(4-2)8-10-6-5-7-15-13(10)14/h5-7H,3-4,8-9H2,1-2H3,(H2,14,15)
InChIKeyWKPPOPJVFDRAEM-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.63
Rot. Bonds6

About 3-[[ethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyridin-2-amine

3-[[ethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyridin-2-amine (PubChem CID 77081038) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 3-[[ethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[[ethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyridin-2-amine
PubChem CID77081038
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name3-[[ethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyridin-2-amine
SMILESCCc1nnc(CN(CC)Cc2cccnc2N)o1
InChIInChI=1S/C13H19N5O/c1-3-11-16-17-12(19-11)9-18(4-2)8-10-6-5-7-15-13(10)14/h5-7H,3-4,8-9H2,1-2H3,(H2,14,15)
InChIKeyWKPPOPJVFDRAEM-UHFFFAOYSA-N
XLogP1.63
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[ethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72920739
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-pyrazol-1-ylacetamide
CID 51077152
N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-hydroxy-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 72872517
N-Benzyl-5-({methyl[(5-methyl-1,3,4-oxadiazol-2-YL)methyl]amino}methyl)pyrimidin-2-amine
CID 77081060
N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyridin-3-ylpropanamide
CID 77089701
(1S)-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 97804440
2-[Ethyl-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]amino]acetamide
CID 99824829
(2S)-2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-pyridin-2-ylpropanamide
CID 124852156
2-Methyl-5-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 45797141
2-Methyl-5-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methyl]-1,3,4-oxadiazole
CID 45797258
2-Cyclopropyl-5-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methyl]-1,3,4-oxadiazole
CID 47522195
2-Propan-2-yl-5-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 56429865

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyridin-2-amine?
The IUPAC name of 3-[[ethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyridin-2-amine (CID 77081038) is 3-[[ethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyridin-2-amine.
What is the SMILES notation for 3-[[ethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyridin-2-amine?
The canonical SMILES for 3-[[ethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyridin-2-amine is CCc1nnc(CN(CC)Cc2cccnc2N)o1.
What is the InChIKey of 3-[[ethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyridin-2-amine?
The InChIKey is WKPPOPJVFDRAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-3-11-16-17-12(19-11)9-18(4-2)8-10-6-5-7-15-13(10)14/h5-7H,3-4,8-9H2,1-2H3,(H2,14,15).
What are the key properties of 3-[[ethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyridin-2-amine?
3-[[ethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyridin-2-amine has a molecular weight of 261.33 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyridin-2-amine is sourced from PubChem (CID 77081038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).