5-(butan-2-ylamino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide

C14H22N4O2 — CID 109273316

IUPAC5-(butan-2-ylamino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
SMILESCCC(C)Nc1cnc(C(=O)NCC2CCCO2)cn1
InChIInChI=1S/C14H22N4O2/c1-3-10(2)18-13-9-15-12(8-16-13)14(19)17-7-11-5-4-6-20-11/h8-11H,3-7H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyYGRRKUTVKCZHSA-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.60
Rot. Bonds6

About 5-(butan-2-ylamino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide

5-(butan-2-ylamino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide (PubChem CID 109273316) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-(butan-2-ylamino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(butan-2-ylamino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
PubChem CID109273316
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name5-(butan-2-ylamino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
SMILESCCC(C)Nc1cnc(C(=O)NCC2CCCO2)cn1
InChIInChI=1S/C14H22N4O2/c1-3-10(2)18-13-9-15-12(8-16-13)14(19)17-7-11-5-4-6-20-11/h8-11H,3-7H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyYGRRKUTVKCZHSA-UHFFFAOYSA-N
XLogP1.60
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 109276874
5-[[(2S)-oxolan-2-yl]methylamino]pyrazine-2-carboxylic acid
CID 166243247
5-fluoro-4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 146080052
2-methyl-N-(oxolan-2-ylmethyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360386
2-methyl-N-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxamide
CID 110702157
N-(1,4-dioxan-2-ylmethyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107374710
N-(oxolan-2-ylmethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 47244860
N-(oxolan-2-ylmethyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109153510
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
N'-butan-2-yl-N-(oxolan-2-ylmethyl)oxamide
CID 3149550
N-(oxolan-2-ylmethyl)-1-propan-2-ylpyrazole-3-carboxamide
CID 146131521
N-(oxolan-2-ylmethyl)-5-phenylpyridine-2-carboxamide
CID 110683568

Frequently Asked Questions

What is the IUPAC name of 5-(butan-2-ylamino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(butan-2-ylamino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide (CID 109273316) is 5-(butan-2-ylamino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(butan-2-ylamino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(butan-2-ylamino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide is CCC(C)Nc1cnc(C(=O)NCC2CCCO2)cn1.
What is the InChIKey of 5-(butan-2-ylamino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is YGRRKUTVKCZHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-10(2)18-13-9-15-12(8-16-13)14(19)17-7-11-5-4-6-20-11/h8-11H,3-7H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 5-(butan-2-ylamino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide?
5-(butan-2-ylamino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butan-2-ylamino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109273316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).