6-[[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]amino]pyrazine-2-carboxamide

C12H18N4O4 — CID 91793872

IUPAC6-[[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]amino]pyrazine-2-carboxamide
SMILESNC(=O)c1cncc(N[C@@H]2COCC[C@@H]2OCCO)n1
InChIInChI=1S/C12H18N4O4/c13-12(18)8-5-14-6-11(15-8)16-9-7-19-3-1-10(9)20-4-2-17/h5-6,9-10,17H,1-4,7H2,(H2,13,18)(H,15,16)/t9-,10+/m1/s1
InChIKeyKUWOSDFUWHHBRL-ZJUUUORDSA-N
MW282.30 g/mol
LogP-0.85
Rot. Bonds6

About 6-[[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]amino]pyrazine-2-carboxamide

6-[[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]amino]pyrazine-2-carboxamide (PubChem CID 91793872) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 6-[[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]amino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]amino]pyrazine-2-carboxamide
PubChem CID91793872
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name6-[[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]amino]pyrazine-2-carboxamide
SMILESNC(=O)c1cncc(N[C@@H]2COCC[C@@H]2OCCO)n1
InChIInChI=1S/C12H18N4O4/c13-12(18)8-5-14-6-11(15-8)16-9-7-19-3-1-10(9)20-4-2-17/h5-6,9-10,17H,1-4,7H2,(H2,13,18)(H,15,16)/t9-,10+/m1/s1
InChIKeyKUWOSDFUWHHBRL-ZJUUUORDSA-N
XLogP-0.85
TPSA119.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2,6-Dimethylmorpholin-4-yl)pyrazine-2-carboxamide
CID 479364
6-{[3-(Cyclopentyloxy)propyl]amino}pyrazine-2-carboxamide
CID 122570616
N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]pyrazine-2-carboxamide
CID 171557671
5-(Oxan-4-ylamino)pyrazine-2-carboxamide
CID 67546580
5-(1-Methoxybutan-2-ylamino)pyrazine-2-carboxamide
CID 69790761
Morpholin-4-yl-[5-(pentylamino)pyrazin-2-yl]methanone
CID 89679087
5-[(3-Aminooxan-4-yl)amino]-3-[(3-methyl-4,5-dihydro-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
CID 123628599
3-(Oxan-4-ylamino)pyrazine-2-carboxamide
CID 142796798
3-[(4-Hydroxycyclohexyl)amino]-5-methylpyrazine-2-carboxamide
CID 143636816
6-Ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide
CID 167487094
5-(Oxan-4-ylamino)-6-piperidin-1-ylpyrazine-2-carboxamide
CID 175859083
5-[(3,4-Dihydroxyoxan-2-yl)methylamino]pyrazine-2-carbaldehyde;ethane;2-methoxypropane
CID 177015216

Frequently Asked Questions

What is the IUPAC name of 6-[[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]amino]pyrazine-2-carboxamide?
The IUPAC name of 6-[[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]amino]pyrazine-2-carboxamide (CID 91793872) is 6-[[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]amino]pyrazine-2-carboxamide.
What is the SMILES notation for 6-[[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]amino]pyrazine-2-carboxamide?
The canonical SMILES for 6-[[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]amino]pyrazine-2-carboxamide is NC(=O)c1cncc(N[C@@H]2COCC[C@@H]2OCCO)n1.
What is the InChIKey of 6-[[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]amino]pyrazine-2-carboxamide?
The InChIKey is KUWOSDFUWHHBRL-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H18N4O4/c13-12(18)8-5-14-6-11(15-8)16-9-7-19-3-1-10(9)20-4-2-17/h5-6,9-10,17H,1-4,7H2,(H2,13,18)(H,15,16)/t9-,10+/m1/s1.
What are the key properties of 6-[[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]amino]pyrazine-2-carboxamide?
6-[[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]amino]pyrazine-2-carboxamide has a molecular weight of 282.30 g/mol, XLogP of -0.85, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]amino]pyrazine-2-carboxamide is sourced from PubChem (CID 91793872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).