N-[(3R,4R)-4-hydroxy-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide

C19H19N5O2 — CID 110133360

IUPACN-[(3R,4R)-4-hydroxy-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
SMILESO=C(N[C@@H]1CN(Cc2ccnc3ccccc23)C[C@H]1O)c1cnccn1
InChIInChI=1S/C19H19N5O2/c25-18-12-24(10-13-5-6-21-15-4-2-1-3-14(13)15)11-17(18)23-19(26)16-9-20-7-8-22-16/h1-9,17-18,25H,10-12H2,(H,23,26)/t17-,18-/m1/s1
InChIKeyLVDFWDUSJVBRPG-QZTJIDSGSA-N
MW349.39 g/mol
LogP1.00
Rot. Bonds4

About N-[(3R,4R)-4-hydroxy-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide

N-[(3R,4R)-4-hydroxy-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide (PubChem CID 110133360) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxy-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxy-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
PubChem CID110133360
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-[(3R,4R)-4-hydroxy-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
SMILESO=C(N[C@@H]1CN(Cc2ccnc3ccccc23)C[C@H]1O)c1cnccn1
InChIInChI=1S/C19H19N5O2/c25-18-12-24(10-13-5-6-21-15-4-2-1-3-14(13)15)11-17(18)23-19(26)16-9-20-7-8-22-16/h1-9,17-18,25H,10-12H2,(H,23,26)/t17-,18-/m1/s1
InChIKeyLVDFWDUSJVBRPG-QZTJIDSGSA-N
XLogP1.00
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R,4R)-4-hydroxy-1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 110133335
N-[(3R,4R)-4-hydroxy-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 110133362
N-[(3R,4R)-1-(1-benzothiophen-2-ylmethyl)-4-hydroxypyrrolidin-3-yl]pyrazine-2-carboxamide
CID 110133376
N-[(3R,4R)-4-hydroxy-1-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 110133345
(3S,4R)-4-(pyrazin-2-ylmethyl)-1-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 155501090
N-[(3R,4R)-3-hydroxy-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]pyrazine-2-carboxamide
CID 70773403
N-[(3R,4R)-1-[(4-ethylphenyl)methyl]-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide
CID 70706579
N-[(3R,4R)-1-(1-benzofuran-2-ylmethyl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide
CID 70704731
N-[(3S,4R)-4-(4-methoxyphenyl)-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]acetamide
CID 70735635
N-[(3R,4R)-1-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide
CID 110118777
N-[(3R,4R)-3-hydroxy-1-(2-thiophen-2-ylacetyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 70765396
methyl 6-[[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methyl]pyridine-2-carboxylate
CID 155498400

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxy-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[(3R,4R)-4-hydroxy-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide (CID 110133360) is N-[(3R,4R)-4-hydroxy-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxy-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxy-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide is O=C(N[C@@H]1CN(Cc2ccnc3ccccc23)C[C@H]1O)c1cnccn1.
What is the InChIKey of N-[(3R,4R)-4-hydroxy-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide?
The InChIKey is LVDFWDUSJVBRPG-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H19N5O2/c25-18-12-24(10-13-5-6-21-15-4-2-1-3-14(13)15)11-17(18)23-19(26)16-9-20-7-8-22-16/h1-9,17-18,25H,10-12H2,(H,23,26)/t17-,18-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxy-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide?
N-[(3R,4R)-4-hydroxy-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxy-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 110133360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).