N-[3-(2-hydroxyethoxy)phenyl]-3-oxo-2,4-dihydro-1H-pyrido[2,3-b]pyrazine-7-carboxamide

C16H16N4O4 — CID 166376227

IUPACN-[3-(2-hydroxyethoxy)phenyl]-3-oxo-2,4-dihydro-1H-pyrido[2,3-b]pyrazine-7-carboxamide
SMILESO=C1CNc2cc(C(=O)Nc3cccc(OCCO)c3)cnc2N1
InChIInChI=1S/C16H16N4O4/c21-4-5-24-12-3-1-2-11(7-12)19-16(23)10-6-13-15(18-8-10)20-14(22)9-17-13/h1-3,6-8,17,21H,4-5,9H2,(H,19,23)(H,18,20,22)
InChIKeyFVDIKSMRAKAFAM-UHFFFAOYSA-N
MW328.33 g/mol
LogP1.07
Rot. Bonds5

About N-[3-(2-hydroxyethoxy)phenyl]-3-oxo-2,4-dihydro-1H-pyrido[2,3-b]pyrazine-7-carboxamide

N-[3-(2-hydroxyethoxy)phenyl]-3-oxo-2,4-dihydro-1H-pyrido[2,3-b]pyrazine-7-carboxamide (PubChem CID 166376227) has the molecular formula C16H16N4O4 and a molecular weight of 328.33 g/mol. Its IUPAC name is N-[3-(2-hydroxyethoxy)phenyl]-3-oxo-2,4-dihydro-1H-pyrido[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[3-(2-hydroxyethoxy)phenyl]-3-oxo-2,4-dihydro-1H-pyrido[2,3-b]pyrazine-7-carboxamide
PubChem CID166376227
Molecular FormulaC16H16N4O4
Molecular Weight328.33 g/mol
Exact Mass328.12
IUPAC NameN-[3-(2-hydroxyethoxy)phenyl]-3-oxo-2,4-dihydro-1H-pyrido[2,3-b]pyrazine-7-carboxamide
SMILESO=C1CNc2cc(C(=O)Nc3cccc(OCCO)c3)cnc2N1
InChIInChI=1S/C16H16N4O4/c21-4-5-24-12-3-1-2-11(7-12)19-16(23)10-6-13-15(18-8-10)20-14(22)9-17-13/h1-3,6-8,17,21H,4-5,9H2,(H,19,23)(H,18,20,22)
InChIKeyFVDIKSMRAKAFAM-UHFFFAOYSA-N
XLogP1.07
TPSA112.58 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(2-methoxyethoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55879605
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CID 104668880
N-[3-(2-methoxyethoxy)phenyl]-1H-pyrazole-4-carboxamide
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N-[3-(3-phenylpropoxy)phenyl]pyridine-4-carboxamide
CID 17133255
N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]pyridine-4-carboxamide
CID 34273229
5-hydroxy-N-(3-propoxyphenyl)pyridine-3-carboxamide
CID 63860104
N-[3-(3-methoxypropoxy)phenyl]benzamide
CID 86997539
1-N,4-N-bis(3-hexoxyphenyl)benzene-1,4-dicarboxamide
CID 17094971
N-[3-(2-pyridin-3-ylethoxy)phenyl]furan-2-carboxamide
CID 75457531
N-(3-ethoxyphenyl)-5-phenylpyridine-3-carboxamide
CID 174738828
3,5-dichloro-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17133560
4-bromo-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 54791265

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-hydroxyethoxy)phenyl]-3-oxo-2,4-dihydro-1H-pyrido[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-[3-(2-hydroxyethoxy)phenyl]-3-oxo-2,4-dihydro-1H-pyrido[2,3-b]pyrazine-7-carboxamide (CID 166376227) is N-[3-(2-hydroxyethoxy)phenyl]-3-oxo-2,4-dihydro-1H-pyrido[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-[3-(2-hydroxyethoxy)phenyl]-3-oxo-2,4-dihydro-1H-pyrido[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-[3-(2-hydroxyethoxy)phenyl]-3-oxo-2,4-dihydro-1H-pyrido[2,3-b]pyrazine-7-carboxamide is O=C1CNc2cc(C(=O)Nc3cccc(OCCO)c3)cnc2N1.
What is the InChIKey of N-[3-(2-hydroxyethoxy)phenyl]-3-oxo-2,4-dihydro-1H-pyrido[2,3-b]pyrazine-7-carboxamide?
The InChIKey is FVDIKSMRAKAFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4/c21-4-5-24-12-3-1-2-11(7-12)19-16(23)10-6-13-15(18-8-10)20-14(22)9-17-13/h1-3,6-8,17,21H,4-5,9H2,(H,19,23)(H,18,20,22).
What are the key properties of N-[3-(2-hydroxyethoxy)phenyl]-3-oxo-2,4-dihydro-1H-pyrido[2,3-b]pyrazine-7-carboxamide?
N-[3-(2-hydroxyethoxy)phenyl]-3-oxo-2,4-dihydro-1H-pyrido[2,3-b]pyrazine-7-carboxamide has a molecular weight of 328.33 g/mol, XLogP of 1.07, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-hydroxyethoxy)phenyl]-3-oxo-2,4-dihydro-1H-pyrido[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 166376227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).