N-[(4-hydroxyoxan-4-yl)methyl]pyrazine-2-carboxamide

C11H15N3O3 — CID 79039942

IUPACN-[(4-hydroxyoxan-4-yl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCC1(O)CCOCC1)c1cnccn1
InChIInChI=1S/C11H15N3O3/c15-10(9-7-12-3-4-13-9)14-8-11(16)1-5-17-6-2-11/h3-4,7,16H,1-2,5-6,8H2,(H,14,15)
InChIKeyFBENJGGEQMGJBU-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.25
Rot. Bonds3

About N-[(4-hydroxyoxan-4-yl)methyl]pyrazine-2-carboxamide

N-[(4-hydroxyoxan-4-yl)methyl]pyrazine-2-carboxamide (PubChem CID 79039942) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]pyrazine-2-carboxamide
PubChem CID79039942
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCC1(O)CCOCC1)c1cnccn1
InChIInChI=1S/C11H15N3O3/c15-10(9-7-12-3-4-13-9)14-8-11(16)1-5-17-6-2-11/h3-4,7,16H,1-2,5-6,8H2,(H,14,15)
InChIKeyFBENJGGEQMGJBU-UHFFFAOYSA-N
XLogP-0.25
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]pyrazine-2-carboxamide
CID 91957397
5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide
CID 79039270
N-(4-methyloxan-4-yl)pyrazine-2-carboxamide
CID 138992437
3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-4-carboxamide
CID 79039193
N-[[1-(hydroxymethyl)cyclobutyl]methyl]pyrazine-2-carboxamide
CID 91954428
N-[(4-hydroxyoxan-4-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115664962
N-(2-morpholin-4-yl-2-oxoethyl)pyrazine-2-carboxamide
CID 110741937
N-[(4-hydroxyoxan-4-yl)methyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 103712065
N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrazine-2-carboxamide
CID 17447495
N-(2-amino-2-oxoethyl)pyrazine-2-carboxamide
CID 14101204
N-[[(3R,4R)-3,4-dihydroxypiperidin-4-yl]methyl]pyrazine-2-carboxamide
CID 110133410
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]pyrazine-2-carboxamide (CID 79039942) is N-[(4-hydroxyoxan-4-yl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]pyrazine-2-carboxamide is O=C(NCC1(O)CCOCC1)c1cnccn1.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]pyrazine-2-carboxamide?
The InChIKey is FBENJGGEQMGJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-10(9-7-12-3-4-13-9)14-8-11(16)1-5-17-6-2-11/h3-4,7,16H,1-2,5-6,8H2,(H,14,15).
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]pyrazine-2-carboxamide?
N-[(4-hydroxyoxan-4-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 237.26 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 79039942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).