N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)pyrazine-2-carboxamide

C14H17N3O3 — CID 45235611

IUPACN-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)pyrazine-2-carboxamide
SMILESCCC(CO)N(Cc1ccco1)C(=O)c1cnccn1
InChIInChI=1S/C14H17N3O3/c1-2-11(10-18)17(9-12-4-3-7-20-12)14(19)13-8-15-5-6-16-13/h3-8,11,18H,2,9-10H2,1H3
InChIKeyYBUFCATYNZWMNH-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.48
Rot. Bonds6

About N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)pyrazine-2-carboxamide

N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)pyrazine-2-carboxamide (PubChem CID 45235611) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)pyrazine-2-carboxamide
PubChem CID45235611
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)pyrazine-2-carboxamide
SMILESCCC(CO)N(Cc1ccco1)C(=O)c1cnccn1
InChIInChI=1S/C14H17N3O3/c1-2-11(10-18)17(9-12-4-3-7-20-12)14(19)13-8-15-5-6-16-13/h3-8,11,18H,2,9-10H2,1H3
InChIKeyYBUFCATYNZWMNH-UHFFFAOYSA-N
XLogP1.48
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 18192896
N-[(1S)-2-(benzylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 40652149
N-[(1R)-1-(2-ethoxyphenyl)-2-(4-fluoroanilino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 1434612
N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 50962627
N-[2-(4-fluoroanilino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 3823696
N-(furan-2-ylmethyl)-2-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]-5-pyrrol-1-ylbenzamide
CID 95228784
3-(2H-benzotriazol-5-yl)-1-(furan-2-ylmethyl)-1-[(2S)-1-hydroxybutan-2-yl]urea
CID 125155612
N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-3-(2-methylphenyl)propanamide
CID 50964980
N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-3-[4-(methylamino)phenyl]benzamide
CID 118778400
N-(furan-2-ylmethyl)-N-[(2R)-1-hydroxybutan-2-yl]-3-[4-(methylamino)phenyl]benzamide
CID 125171573
N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-2-(1H-indol-3-yl)acetamide
CID 46994383
N-[2-(furan-2-yl)ethyl]pyrazine-2-carboxamide
CID 110745469

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)pyrazine-2-carboxamide (CID 45235611) is N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)pyrazine-2-carboxamide is CCC(CO)N(Cc1ccco1)C(=O)c1cnccn1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)pyrazine-2-carboxamide?
The InChIKey is YBUFCATYNZWMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-2-11(10-18)17(9-12-4-3-7-20-12)14(19)13-8-15-5-6-16-13/h3-8,11,18H,2,9-10H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)pyrazine-2-carboxamide?
N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)pyrazine-2-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 45235611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).