N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide

C20H23N5O3 — CID 136519830

IUPACN-[2-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide
SMILESCCN1CCN(c2ccccc2NC(=O)c2cnc3c(c2)NC(=O)CO3)CC1
InChIInChI=1S/C20H23N5O3/c1-2-24-7-9-25(10-8-24)17-6-4-3-5-15(17)23-19(27)14-11-16-20(21-12-14)28-13-18(26)22-16/h3-6,11-12H,2,7-10,13H2,1H3,(H,22,26)(H,23,27)
InChIKeyYFVHXLJMVMFCJV-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.81
Rot. Bonds4

About N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide

N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide (PubChem CID 136519830) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide
PubChem CID136519830
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide
SMILESCCN1CCN(c2ccccc2NC(=O)c2cnc3c(c2)NC(=O)CO3)CC1
InChIInChI=1S/C20H23N5O3/c1-2-24-7-9-25(10-8-24)17-6-4-3-5-15(17)23-19(27)14-11-16-20(21-12-14)28-13-18(26)22-16/h3-6,11-12H,2,7-10,13H2,1H3,(H,22,26)(H,23,27)
InChIKeyYFVHXLJMVMFCJV-UHFFFAOYSA-N
XLogP1.81
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 18190160
2-(4-ethylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyridine-4-carboxamide
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N-[(2R,3S)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxybutan-2-yl]-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide
CID 170379834
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CID 99147654
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 23474767
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(methylamino)acetamide
CID 119901038
1-acetyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dihydroindole-5-carboxamide
CID 51265836
2-bromo-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 39737929
N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 46553493
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methoxybenzamide
CID 25333549
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide (CID 136519830) is N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide is CCN1CCN(c2ccccc2NC(=O)c2cnc3c(c2)NC(=O)CO3)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide?
The InChIKey is YFVHXLJMVMFCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-2-24-7-9-25(10-8-24)17-6-4-3-5-15(17)23-19(27)14-11-16-20(21-12-14)28-13-18(26)22-16/h3-6,11-12H,2,7-10,13H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide?
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide is sourced from PubChem (CID 136519830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).