5-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyrazine-2-carboxamide

C11H14ClN3O3 — CID 114170033

IUPAC5-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyrazine-2-carboxamide
SMILESO=C(NC1(CO)CCOCC1)c1cnc(Cl)cn1
InChIInChI=1S/C11H14ClN3O3/c12-9-6-13-8(5-14-9)10(17)15-11(7-16)1-3-18-4-2-11/h5-6,16H,1-4,7H2,(H,15,17)
InChIKeyRPOPVUYJQSOPKV-UHFFFAOYSA-N
MW271.70 g/mol
LogP0.40
Rot. Bonds3

About 5-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyrazine-2-carboxamide

5-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyrazine-2-carboxamide (PubChem CID 114170033) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is 5-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyrazine-2-carboxamide
PubChem CID114170033
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Name5-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyrazine-2-carboxamide
SMILESO=C(NC1(CO)CCOCC1)c1cnc(Cl)cn1
InChIInChI=1S/C11H14ClN3O3/c12-9-6-13-8(5-14-9)10(17)15-11(7-16)1-3-18-4-2-11/h5-6,16H,1-4,7H2,(H,15,17)
InChIKeyRPOPVUYJQSOPKV-UHFFFAOYSA-N
XLogP0.40
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-2-carboxamide
CID 104630550
N-[4-(hydroxymethyl)oxan-4-yl]-1,2-oxazole-3-carboxamide
CID 103954215
2-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-carboxamide
CID 104630360
1-[(5-chloropyrazine-2-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 107371425
N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide
CID 113358039
N-[4-(hydroxymethyl)oxan-4-yl]-1H-imidazole-5-carboxamide
CID 104630663
N-[4-(hydroxymethyl)oxan-4-yl]-4-methyl-1,2-oxazole-5-carboxamide
CID 113435034
N-[4-(hydroxymethyl)oxan-4-yl]-4-methyl-1,3-oxazole-5-carboxamide
CID 104630371
N-[4-(hydroxymethyl)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 103954300
3,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 104630413
[4-(hydroxymethyl)oxan-4-yl]carbamic acid
CID 68806059
3-chloro-N-[4-(hydroxymethyl)oxan-4-yl]-5-nitrobenzamide
CID 104630621

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyrazine-2-carboxamide (CID 114170033) is 5-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyrazine-2-carboxamide is O=C(NC1(CO)CCOCC1)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyrazine-2-carboxamide?
The InChIKey is RPOPVUYJQSOPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c12-9-6-13-8(5-14-9)10(17)15-11(7-16)1-3-18-4-2-11/h5-6,16H,1-4,7H2,(H,15,17).
What are the key properties of 5-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyrazine-2-carboxamide?
5-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyrazine-2-carboxamide has a molecular weight of 271.70 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 114170033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).