(2S)-N,N-dimethyl-1-[(6-methyl-3-pyridinyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide

C18H23N5O — CID 124991235

IUPAC(2S)-N,N-dimethyl-1-[(6-methyl-3-pyridinyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESCc1ccc(CN2CCC[C@@]2(C(=O)N(C)C)c2cnccn2)cn1
InChIInChI=1S/C18H23N5O/c1-14-5-6-15(11-21-14)13-23-10-4-7-18(23,17(24)22(2)3)16-12-19-8-9-20-16/h5-6,8-9,11-12H,4,7,10,13H2,1-3H3/t18-/m0/s1
InChIKeyPHSASOUSMCTRTJ-SFHVURJKSA-N
MW325.42 g/mol
LogP1.76
Rot. Bonds4

About (2S)-N,N-dimethyl-1-[(6-methyl-3-pyridinyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide

(2S)-N,N-dimethyl-1-[(6-methyl-3-pyridinyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide (PubChem CID 124991235) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-1-[(6-methyl-3-pyridinyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-1-[(6-methyl-3-pyridinyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
PubChem CID124991235
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name(2S)-N,N-dimethyl-1-[(6-methyl-3-pyridinyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESCc1ccc(CN2CCC[C@@]2(C(=O)N(C)C)c2cnccn2)cn1
InChIInChI=1S/C18H23N5O/c1-14-5-6-15(11-21-14)13-23-10-4-7-18(23,17(24)22(2)3)16-12-19-8-9-20-16/h5-6,8-9,11-12H,4,7,10,13H2,1-3H3/t18-/m0/s1
InChIKeyPHSASOUSMCTRTJ-SFHVURJKSA-N
XLogP1.76
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-1-[(6-methyl-3-pyridinyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N,N-dimethyl-1-[(6-methyl-3-pyridinyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide (CID 124991235) is (2S)-N,N-dimethyl-1-[(6-methyl-3-pyridinyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N,N-dimethyl-1-[(6-methyl-3-pyridinyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N,N-dimethyl-1-[(6-methyl-3-pyridinyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide is Cc1ccc(CN2CCC[C@@]2(C(=O)N(C)C)c2cnccn2)cn1.
What is the InChIKey of (2S)-N,N-dimethyl-1-[(6-methyl-3-pyridinyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The InChIKey is PHSASOUSMCTRTJ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23N5O/c1-14-5-6-15(11-21-14)13-23-10-4-7-18(23,17(24)22(2)3)16-12-19-8-9-20-16/h5-6,8-9,11-12H,4,7,10,13H2,1-3H3/t18-/m0/s1.
What are the key properties of (2S)-N,N-dimethyl-1-[(6-methyl-3-pyridinyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
(2S)-N,N-dimethyl-1-[(6-methyl-3-pyridinyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-1-[(6-methyl-3-pyridinyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 124991235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).