N-[2-(ethylaminomethyl)phenyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C18H20N4O2 — CID 119439823

IUPACN-[2-(ethylaminomethyl)phenyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCNCc1ccccc1NC(=O)c1cc(C)nc2onc(C)c12
InChIInChI=1S/C18H20N4O2/c1-4-19-10-13-7-5-6-8-15(13)21-17(23)14-9-11(2)20-18-16(14)12(3)22-24-18/h5-9,19H,4,10H2,1-3H3,(H,21,23)
InChIKeyKYTXIQNFVPVNPV-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.20
Rot. Bonds5

About N-[2-(ethylaminomethyl)phenyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[2-(ethylaminomethyl)phenyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 119439823) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID119439823
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCNCc1ccccc1NC(=O)c1cc(C)nc2onc(C)c12
InChIInChI=1S/C18H20N4O2/c1-4-19-10-13-7-5-6-8-15(13)21-17(23)14-9-11(2)20-18-16(14)12(3)22-24-18/h5-9,19H,4,10H2,1-3H3,(H,21,23)
InChIKeyKYTXIQNFVPVNPV-UHFFFAOYSA-N
XLogP3.20
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyclopropyl-N-[2-(ethylaminomethyl)phenyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119440730
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51111979
2-[2-[(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]phenyl]acetic acid
CID 119353215
N-[[2-(methoxymethyl)phenyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 32605719
N-(2,6-difluorophenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 52902662
N-(2-acetylphenyl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24604979
3,6-dimethyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51097996
N-(3-hydroxy-2-pyridinyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18133260
N-(2-acetylphenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24603333
3-methyl-6-propan-2-yl-N-(2-propan-2-ylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78835772
N-[2-(ethylaminomethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride
CID 119438731
1-butan-2-yl-N-[2-(ethylaminomethyl)phenyl]-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119439169

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 119439823) is N-[2-(ethylaminomethyl)phenyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCNCc1ccccc1NC(=O)c1cc(C)nc2onc(C)c12.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is KYTXIQNFVPVNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-4-19-10-13-7-5-6-8-15(13)21-17(23)14-9-11(2)20-18-16(14)12(3)22-24-18/h5-9,19H,4,10H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[2-(ethylaminomethyl)phenyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 119439823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).