N-(2-aminoethyl)-3-ethyl-N-(2-phenylethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride

C19H23ClN4O2 — CID 120885951

IUPACN-(2-aminoethyl)-3-ethyl-N-(2-phenylethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride
SMILESCCc1noc2ncc(C(=O)N(CCN)CCc3ccccc3)cc12.Cl
InChIInChI=1S/C19H22N4O2.ClH/c1-2-17-16-12-15(13-21-18(16)25-22-17)19(24)23(11-9-20)10-8-14-6-4-3-5-7-14;/h3-7,12-13H,2,8-11,20H2,1H3;1H
InChIKeyIUSSGIBARBTKLV-UHFFFAOYSA-N
MW374.87 g/mol
LogP2.85
Rot. Bonds7

About N-(2-aminoethyl)-3-ethyl-N-(2-phenylethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride

N-(2-aminoethyl)-3-ethyl-N-(2-phenylethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride (PubChem CID 120885951) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-ethyl-N-(2-phenylethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-ethyl-N-(2-phenylethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride
PubChem CID120885951
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC NameN-(2-aminoethyl)-3-ethyl-N-(2-phenylethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride
SMILESCCc1noc2ncc(C(=O)N(CCN)CCc3ccccc3)cc12.Cl
InChIInChI=1S/C19H22N4O2.ClH/c1-2-17-16-12-15(13-21-18(16)25-22-17)19(24)23(11-9-20)10-8-14-6-4-3-5-7-14;/h3-7,12-13H,2,8-11,20H2,1H3;1H
InChIKeyIUSSGIBARBTKLV-UHFFFAOYSA-N
XLogP2.85
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-aminoethyl)-3-ethyl-N-(2-phenylethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride with MolForge

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Related Compounds

N-(2-aminoethyl)-5-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride
CID 120885347
N-(2-aminoethyl)-6-[ethyl(propan-2-yl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride
CID 120886727
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885633
N-(2-aminoethyl)-4-ethoxy-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885321
N-(2-aminoethyl)-3,5-dimethoxy-4-methyl-N-(2-phenylethyl)benzamide
CID 120884398
3-N-(2-aminoethyl)-1-N,1-N-dimethyl-3-N-(2-phenylethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 120885749
N-(2-aminoethyl)-2-(dimethylamino)-N-(2-phenylethyl)pyridine-4-carboxamide
CID 120884650
N-(2-aminoethyl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 120885554
4-N-(2-aminoethyl)-1-N-ethyl-4-N-(2-phenylethyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 120884506
N-(2-aminoethyl)-1-(2-methylpropyl)-N-(2-phenylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 120886892
N-(2-aminoethyl)-6-(azepan-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride
CID 120884645
N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)furan-3-carboxamide;hydrochloride
CID 120886169

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-ethyl-N-(2-phenylethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-3-ethyl-N-(2-phenylethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride (CID 120885951) is N-(2-aminoethyl)-3-ethyl-N-(2-phenylethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-3-ethyl-N-(2-phenylethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-3-ethyl-N-(2-phenylethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride is CCc1noc2ncc(C(=O)N(CCN)CCc3ccccc3)cc12.Cl.
What is the InChIKey of N-(2-aminoethyl)-3-ethyl-N-(2-phenylethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride?
The InChIKey is IUSSGIBARBTKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2.ClH/c1-2-17-16-12-15(13-21-18(16)25-22-17)19(24)23(11-9-20)10-8-14-6-4-3-5-7-14;/h3-7,12-13H,2,8-11,20H2,1H3;1H.
What are the key properties of N-(2-aminoethyl)-3-ethyl-N-(2-phenylethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride?
N-(2-aminoethyl)-3-ethyl-N-(2-phenylethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride has a molecular weight of 374.87 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-ethyl-N-(2-phenylethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride is sourced from PubChem (CID 120885951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).