N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide

C11H16N4O — CID 97164269

IUPACN-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide
SMILESCN(C[C@@H]1CCCN1)C(=O)c1cnccn1
InChIInChI=1S/C11H16N4O/c1-15(8-9-3-2-4-13-9)11(16)10-7-12-5-6-14-10/h5-7,9,13H,2-4,8H2,1H3/t9-/m0/s1
InChIKeyMDRDANTXDULYIF-VIFPVBQESA-N
MW220.28 g/mol
LogP0.30
Rot. Bonds3

About N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide

N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide (PubChem CID 97164269) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide
PubChem CID97164269
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC NameN-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide
SMILESCN(C[C@@H]1CCCN1)C(=O)c1cnccn1
InChIInChI=1S/C11H16N4O/c1-15(8-9-3-2-4-13-9)11(16)10-7-12-5-6-14-10/h5-7,9,13H,2-4,8H2,1H3/t9-/m0/s1
InChIKeyMDRDANTXDULYIF-VIFPVBQESA-N
XLogP0.30
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pyrazine-2-carboxamide
CID 106611769
N-methyl-N-(piperidin-3-ylmethyl)pyrazine-2-carboxamide
CID 71642090
N-methyl-N-[[(3R)-piperidin-3-yl]methyl]pyrazine-2-carboxamide
CID 97164409
N,1-dimethyl-N-(pyrrolidin-2-ylmethyl)imidazole-4-carboxamide
CID 107973687
N-methyl-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-carboxamide
CID 106607277
N-methyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 106607345
N,6-dimethyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106607724
N,6-dimethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide
CID 106607470
1-pyrazin-2-yl-2-[[(2S)-pyrrolidin-2-yl]methylamino]ethanone
CID 97165683
N,4-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-5-carboxamide
CID 106607279
3,5-dichloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607655
(1S)-N-methyl-1-pyrazin-2-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 129426014

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide?
The IUPAC name of N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide (CID 97164269) is N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide is CN(C[C@@H]1CCCN1)C(=O)c1cnccn1.
What is the InChIKey of N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide?
The InChIKey is MDRDANTXDULYIF-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N4O/c1-15(8-9-3-2-4-13-9)11(16)10-7-12-5-6-14-10/h5-7,9,13H,2-4,8H2,1H3/t9-/m0/s1.
What are the key properties of N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide?
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 220.28 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 97164269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).