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

C21H25N5O2 — CID 51111979

IUPACN-[2-(4-ethylpiperazin-1-yl)phenyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCN1CCN(c2ccccc2NC(=O)c2cc(C)nc3onc(C)c23)CC1
InChIInChI=1S/C21H25N5O2/c1-4-25-9-11-26(12-10-25)18-8-6-5-7-17(18)23-20(27)16-13-14(2)22-21-19(16)15(3)24-28-21/h5-8,13H,4,9-12H2,1-3H3,(H,23,27)
InChIKeySBMFFRKRZFMZCS-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.23
Rot. Bonds4

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

N-[2-(4-ethylpiperazin-1-yl)phenyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 51111979) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)phenyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)phenyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID51111979
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)phenyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCN1CCN(c2ccccc2NC(=O)c2cc(C)nc3onc(C)c23)CC1
InChIInChI=1S/C21H25N5O2/c1-4-25-9-11-26(12-10-25)18-8-6-5-7-17(18)23-20(27)16-13-14(2)22-21-19(16)15(3)24-28-21/h5-8,13H,4,9-12H2,1-3H3,(H,23,27)
InChIKeySBMFFRKRZFMZCS-UHFFFAOYSA-N
XLogP3.23
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30212740
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 112808074
N-[2-(ethylaminomethyl)phenyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119439823
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30134614
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30134612
5-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide
CID 120647841
2-bromo-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 39737929
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 39911869
N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 46553493
N-[2-(4-ethylpiperazin-1-yl)phenyl]quinoline-8-carboxamide
CID 99147654
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 51302006
N-(1-ethylpiperidin-4-yl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 36814386

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)phenyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)phenyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 51111979) is N-[2-(4-ethylpiperazin-1-yl)phenyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)phenyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)phenyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCN1CCN(c2ccccc2NC(=O)c2cc(C)nc3onc(C)c23)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)phenyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is SBMFFRKRZFMZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-4-25-9-11-26(12-10-25)18-8-6-5-7-17(18)23-20(27)16-13-14(2)22-21-19(16)15(3)24-28-21/h5-8,13H,4,9-12H2,1-3H3,(H,23,27).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)phenyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)phenyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 51111979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).