N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide

C17H20N4O2 — CID 122136877

IUPACN-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide
SMILESCOc1cccc(N2CCC(CNC(=O)c3cnccn3)C2)c1
InChIInChI=1S/C17H20N4O2/c1-23-15-4-2-3-14(9-15)21-8-5-13(12-21)10-20-17(22)16-11-18-6-7-19-16/h2-4,6-7,9,11,13H,5,8,10,12H2,1H3,(H,20,22)
InChIKeyDMSXAMVXKYQVDT-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.74
Rot. Bonds5

About N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide

N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide (PubChem CID 122136877) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide
PubChem CID122136877
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide
SMILESCOc1cccc(N2CCC(CNC(=O)c3cnccn3)C2)c1
InChIInChI=1S/C17H20N4O2/c1-23-15-4-2-3-14(9-15)21-8-5-13(12-21)10-20-17(22)16-11-18-6-7-19-16/h2-4,6-7,9,11,13H,5,8,10,12H2,1H3,(H,20,22)
InChIKeyDMSXAMVXKYQVDT-UHFFFAOYSA-N
XLogP1.74
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazine-2-carboxamide
CID 35220191
N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 95315493
N-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide
CID 131927095
N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 129401216
N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(2-methylphenyl)acetamide
CID 95296545
3,3-dicyclopropyl-N-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]prop-2-enamide
CID 94821491
1-(dicyclopropylmethyl)-3-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 95300449
N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-propylsulfanylacetamide
CID 95285621
3-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methylcarbamoyl-methylamino]propanoic acid
CID 122000111
1-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 98760898
1-(4-hydroxycyclohexyl)-3-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 95300487
N-[[(3R)-1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine
CID 124572827

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide (CID 122136877) is N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide is COc1cccc(N2CCC(CNC(=O)c3cnccn3)C2)c1.
What is the InChIKey of N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide?
The InChIKey is DMSXAMVXKYQVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-23-15-4-2-3-14(9-15)21-8-5-13(12-21)10-20-17(22)16-11-18-6-7-19-16/h2-4,6-7,9,11,13H,5,8,10,12H2,1H3,(H,20,22).
What are the key properties of N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide?
N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 122136877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).