N-[[(3R,4R)-3,4-dihydroxypiperidin-4-yl]methyl]pyrazine-2-carboxamide

C11H16N4O3 — CID 110133410

IUPACN-[[(3R,4R)-3,4-dihydroxypiperidin-4-yl]methyl]pyrazine-2-carboxamide
SMILESO=C(NC[C@]1(O)CCNC[C@H]1O)c1cnccn1
InChIInChI=1S/C11H16N4O3/c16-9-6-12-2-1-11(9,18)7-15-10(17)8-5-13-3-4-14-8/h3-5,9,12,16,18H,1-2,6-7H2,(H,15,17)/t9-,11-/m1/s1
InChIKeyDZJDBXNYXDSJJQ-MWLCHTKSSA-N
MW252.27 g/mol
LogP-1.71
Rot. Bonds3

About N-[[(3R,4R)-3,4-dihydroxypiperidin-4-yl]methyl]pyrazine-2-carboxamide

N-[[(3R,4R)-3,4-dihydroxypiperidin-4-yl]methyl]pyrazine-2-carboxamide (PubChem CID 110133410) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-[[(3R,4R)-3,4-dihydroxypiperidin-4-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[(3R,4R)-3,4-dihydroxypiperidin-4-yl]methyl]pyrazine-2-carboxamide
PubChem CID110133410
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC NameN-[[(3R,4R)-3,4-dihydroxypiperidin-4-yl]methyl]pyrazine-2-carboxamide
SMILESO=C(NC[C@]1(O)CCNC[C@H]1O)c1cnccn1
InChIInChI=1S/C11H16N4O3/c16-9-6-12-2-1-11(9,18)7-15-10(17)8-5-13-3-4-14-8/h3-5,9,12,16,18H,1-2,6-7H2,(H,15,17)/t9-,11-/m1/s1
InChIKeyDZJDBXNYXDSJJQ-MWLCHTKSSA-N
XLogP-1.71
TPSA107.37 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-1.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-(azetidin-3-ylmethyl)pyrazine-2-carboxamide
CID 127017038
N-[(4-hydroxyoxan-4-yl)methyl]pyrazine-2-carboxamide
CID 79039942
N-[[1-(hydroxymethyl)cyclobutyl]methyl]pyrazine-2-carboxamide
CID 91954428
N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrazine-2-carboxamide
CID 17447495
N-(3-methylpiperidin-4-yl)pyrazine-2-carboxamide
CID 120556268
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyrazine-2-carboxamide
CID 47042253
N-[[(3S,4R)-3,4-dihydroxy-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide
CID 110139712
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272
N-(2-piperidin-4-yloxyethyl)pyrazine-2-carboxamide
CID 55251519
N-[[3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]pyrazine-2-carboxamide
CID 163045429
N-(1-oxa-8-azaspiro[4.5]decan-3-yl)pyrazine-2-carboxamide
CID 77080599
N-[10-(pyrazine-2-carbonylamino)decyl]pyrazine-2-carboxamide
CID 71517100

Frequently Asked Questions

What is the IUPAC name of N-[[(3R,4R)-3,4-dihydroxypiperidin-4-yl]methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[[(3R,4R)-3,4-dihydroxypiperidin-4-yl]methyl]pyrazine-2-carboxamide (CID 110133410) is N-[[(3R,4R)-3,4-dihydroxypiperidin-4-yl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[[(3R,4R)-3,4-dihydroxypiperidin-4-yl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[[(3R,4R)-3,4-dihydroxypiperidin-4-yl]methyl]pyrazine-2-carboxamide is O=C(NC[C@]1(O)CCNC[C@H]1O)c1cnccn1.
What is the InChIKey of N-[[(3R,4R)-3,4-dihydroxypiperidin-4-yl]methyl]pyrazine-2-carboxamide?
The InChIKey is DZJDBXNYXDSJJQ-MWLCHTKSSA-N. The full InChI is InChI=1S/C11H16N4O3/c16-9-6-12-2-1-11(9,18)7-15-10(17)8-5-13-3-4-14-8/h3-5,9,12,16,18H,1-2,6-7H2,(H,15,17)/t9-,11-/m1/s1.
What are the key properties of N-[[(3R,4R)-3,4-dihydroxypiperidin-4-yl]methyl]pyrazine-2-carboxamide?
N-[[(3R,4R)-3,4-dihydroxypiperidin-4-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 252.27 g/mol, XLogP of -1.71, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,4R)-3,4-dihydroxypiperidin-4-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 110133410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).