N-[(3R,4S)-1-[3-(dimethylamino)pyrazin-2-yl]-4-propan-2-ylpyrrolidin-3-yl]-2-methoxy-2-methylpropanamide

C18H31N5O2 — CID 72838243

IUPACN-[(3R,4S)-1-[3-(dimethylamino)pyrazin-2-yl]-4-propan-2-ylpyrrolidin-3-yl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)N[C@H]1CN(c2nccnc2N(C)C)C[C@@H]1C(C)C
InChIInChI=1S/C18H31N5O2/c1-12(2)13-10-23(16-15(22(5)6)19-8-9-20-16)11-14(13)21-17(24)18(3,4)25-7/h8-9,12-14H,10-11H2,1-7H3,(H,21,24)/t13-,14+/m1/s1
InChIKeyFYUGSFKZHMDYIT-KGLIPLIRSA-N
MW349.48 g/mol
LogP1.54
Rot. Bonds6

About N-[(3R,4S)-1-[3-(dimethylamino)pyrazin-2-yl]-4-propan-2-ylpyrrolidin-3-yl]-2-methoxy-2-methylpropanamide

N-[(3R,4S)-1-[3-(dimethylamino)pyrazin-2-yl]-4-propan-2-ylpyrrolidin-3-yl]-2-methoxy-2-methylpropanamide (PubChem CID 72838243) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[(3R,4S)-1-[3-(dimethylamino)pyrazin-2-yl]-4-propan-2-ylpyrrolidin-3-yl]-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-[3-(dimethylamino)pyrazin-2-yl]-4-propan-2-ylpyrrolidin-3-yl]-2-methoxy-2-methylpropanamide
PubChem CID72838243
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC NameN-[(3R,4S)-1-[3-(dimethylamino)pyrazin-2-yl]-4-propan-2-ylpyrrolidin-3-yl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)N[C@H]1CN(c2nccnc2N(C)C)C[C@@H]1C(C)C
InChIInChI=1S/C18H31N5O2/c1-12(2)13-10-23(16-15(22(5)6)19-8-9-20-16)11-14(13)21-17(24)18(3,4)25-7/h8-9,12-14H,10-11H2,1-7H3,(H,21,24)/t13-,14+/m1/s1
InChIKeyFYUGSFKZHMDYIT-KGLIPLIRSA-N
XLogP1.54
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-[3-(dimethylamino)pyrazin-2-yl]-4-propan-2-ylpyrrolidin-3-yl]-2-methoxy-2-methylpropanamide?
The IUPAC name of N-[(3R,4S)-1-[3-(dimethylamino)pyrazin-2-yl]-4-propan-2-ylpyrrolidin-3-yl]-2-methoxy-2-methylpropanamide (CID 72838243) is N-[(3R,4S)-1-[3-(dimethylamino)pyrazin-2-yl]-4-propan-2-ylpyrrolidin-3-yl]-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-[(3R,4S)-1-[3-(dimethylamino)pyrazin-2-yl]-4-propan-2-ylpyrrolidin-3-yl]-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-[(3R,4S)-1-[3-(dimethylamino)pyrazin-2-yl]-4-propan-2-ylpyrrolidin-3-yl]-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)N[C@H]1CN(c2nccnc2N(C)C)C[C@@H]1C(C)C.
What is the InChIKey of N-[(3R,4S)-1-[3-(dimethylamino)pyrazin-2-yl]-4-propan-2-ylpyrrolidin-3-yl]-2-methoxy-2-methylpropanamide?
The InChIKey is FYUGSFKZHMDYIT-KGLIPLIRSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-12(2)13-10-23(16-15(22(5)6)19-8-9-20-16)11-14(13)21-17(24)18(3,4)25-7/h8-9,12-14H,10-11H2,1-7H3,(H,21,24)/t13-,14+/m1/s1.
What are the key properties of N-[(3R,4S)-1-[3-(dimethylamino)pyrazin-2-yl]-4-propan-2-ylpyrrolidin-3-yl]-2-methoxy-2-methylpropanamide?
N-[(3R,4S)-1-[3-(dimethylamino)pyrazin-2-yl]-4-propan-2-ylpyrrolidin-3-yl]-2-methoxy-2-methylpropanamide has a molecular weight of 349.48 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-[3-(dimethylamino)pyrazin-2-yl]-4-propan-2-ylpyrrolidin-3-yl]-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 72838243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).