N-[(3R,4R)-4-hydroxy-1-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide

C16H19N5O2 — CID 110133345

IUPACN-[(3R,4R)-4-hydroxy-1-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide
SMILESCc1ccc(CN2C[C@@H](O)[C@H](NC(=O)c3cnccn3)C2)cn1
InChIInChI=1S/C16H19N5O2/c1-11-2-3-12(6-19-11)8-21-9-14(15(22)10-21)20-16(23)13-7-17-4-5-18-13/h2-7,14-15,22H,8-10H2,1H3,(H,20,23)/t14-,15-/m1/s1
InChIKeyZCBCNWIHLQPKHO-HUUCEWRRSA-N
MW313.36 g/mol
LogP0.16
Rot. Bonds4

About N-[(3R,4R)-4-hydroxy-1-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide

N-[(3R,4R)-4-hydroxy-1-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide (PubChem CID 110133345) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxy-1-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxy-1-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide
PubChem CID110133345
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN-[(3R,4R)-4-hydroxy-1-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide
SMILESCc1ccc(CN2C[C@@H](O)[C@H](NC(=O)c3cnccn3)C2)cn1
InChIInChI=1S/C16H19N5O2/c1-11-2-3-12(6-19-11)8-21-9-14(15(22)10-21)20-16(23)13-7-17-4-5-18-13/h2-7,14-15,22H,8-10H2,1H3,(H,20,23)/t14-,15-/m1/s1
InChIKeyZCBCNWIHLQPKHO-HUUCEWRRSA-N
XLogP0.16
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3R,4R)-4-hydroxy-1-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide with MolForge

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Related Compounds

N-[(3R,4R)-4-hydroxy-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 110133362
N-[(3R,4R)-4-hydroxy-1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 110133335
N-[(3R,4R)-1-[(4-ethylphenyl)methyl]-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide
CID 70706579
N-[(3R,4R)-4-hydroxy-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 110133360
N-[(3R,4R)-1-(1-benzothiophen-2-ylmethyl)-4-hydroxypyrrolidin-3-yl]pyrazine-2-carboxamide
CID 110133376
1-[(6-methyl-3-pyridinyl)methyl]azetidine-3-carboxylic acid
CID 104823904
N-[(3R,4R)-3-hydroxy-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]pyrazine-2-carboxamide
CID 70773403
N-[(3R,4R)-3-hydroxy-1-(6-methylpyridine-2-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 70757296
N-[(3R,4R)-1-[(1-butyl-3-methylpyrazol-4-yl)methyl]-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide
CID 110118777
N-[(3R,4R)-1-(1-benzofuran-2-ylmethyl)-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide
CID 70704731
N-[(3R,3aR,7aR)-1-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide
CID 124521539
N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 134161550

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxy-1-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[(3R,4R)-4-hydroxy-1-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide (CID 110133345) is N-[(3R,4R)-4-hydroxy-1-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxy-1-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxy-1-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide is Cc1ccc(CN2C[C@@H](O)[C@H](NC(=O)c3cnccn3)C2)cn1.
What is the InChIKey of N-[(3R,4R)-4-hydroxy-1-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide?
The InChIKey is ZCBCNWIHLQPKHO-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-11-2-3-12(6-19-11)8-21-9-14(15(22)10-21)20-16(23)13-7-17-4-5-18-13/h2-7,14-15,22H,8-10H2,1H3,(H,20,23)/t14-,15-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxy-1-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide?
N-[(3R,4R)-4-hydroxy-1-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 0.16, 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-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 110133345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).