N-[(3R,4S)-1-[(5-methylpyrazin-2-yl)methyl]-4-propylpyrrolidin-3-yl]oxane-4-carboxamide

C19H30N4O2 — CID 72907159

IUPACN-[(3R,4S)-1-[(5-methylpyrazin-2-yl)methyl]-4-propylpyrrolidin-3-yl]oxane-4-carboxamide
SMILESCCC[C@H]1CN(Cc2cnc(C)cn2)C[C@@H]1NC(=O)C1CCOCC1
InChIInChI=1S/C19H30N4O2/c1-3-4-16-11-23(12-17-10-20-14(2)9-21-17)13-18(16)22-19(24)15-5-7-25-8-6-15/h9-10,15-16,18H,3-8,11-13H2,1-2H3,(H,22,24)/t16-,18-/m0/s1
InChIKeyYLSXPQYALJPSAL-WMZOPIPTSA-N
MW346.48 g/mol
LogP1.93
Rot. Bonds6

About N-[(3R,4S)-1-[(5-methylpyrazin-2-yl)methyl]-4-propylpyrrolidin-3-yl]oxane-4-carboxamide

N-[(3R,4S)-1-[(5-methylpyrazin-2-yl)methyl]-4-propylpyrrolidin-3-yl]oxane-4-carboxamide (PubChem CID 72907159) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-[(3R,4S)-1-[(5-methylpyrazin-2-yl)methyl]-4-propylpyrrolidin-3-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-[(5-methylpyrazin-2-yl)methyl]-4-propylpyrrolidin-3-yl]oxane-4-carboxamide
PubChem CID72907159
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN-[(3R,4S)-1-[(5-methylpyrazin-2-yl)methyl]-4-propylpyrrolidin-3-yl]oxane-4-carboxamide
SMILESCCC[C@H]1CN(Cc2cnc(C)cn2)C[C@@H]1NC(=O)C1CCOCC1
InChIInChI=1S/C19H30N4O2/c1-3-4-16-11-23(12-17-10-20-14(2)9-21-17)13-18(16)22-19(24)15-5-7-25-8-6-15/h9-10,15-16,18H,3-8,11-13H2,1-2H3,(H,22,24)/t16-,18-/m0/s1
InChIKeyYLSXPQYALJPSAL-WMZOPIPTSA-N
XLogP1.93
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-[(5-methylpyrazin-2-yl)methyl]-4-propylpyrrolidin-3-yl]oxane-4-carboxamide?
The IUPAC name of N-[(3R,4S)-1-[(5-methylpyrazin-2-yl)methyl]-4-propylpyrrolidin-3-yl]oxane-4-carboxamide (CID 72907159) is N-[(3R,4S)-1-[(5-methylpyrazin-2-yl)methyl]-4-propylpyrrolidin-3-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[(3R,4S)-1-[(5-methylpyrazin-2-yl)methyl]-4-propylpyrrolidin-3-yl]oxane-4-carboxamide?
The canonical SMILES for N-[(3R,4S)-1-[(5-methylpyrazin-2-yl)methyl]-4-propylpyrrolidin-3-yl]oxane-4-carboxamide is CCC[C@H]1CN(Cc2cnc(C)cn2)C[C@@H]1NC(=O)C1CCOCC1.
What is the InChIKey of N-[(3R,4S)-1-[(5-methylpyrazin-2-yl)methyl]-4-propylpyrrolidin-3-yl]oxane-4-carboxamide?
The InChIKey is YLSXPQYALJPSAL-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-3-4-16-11-23(12-17-10-20-14(2)9-21-17)13-18(16)22-19(24)15-5-7-25-8-6-15/h9-10,15-16,18H,3-8,11-13H2,1-2H3,(H,22,24)/t16-,18-/m0/s1.
What are the key properties of N-[(3R,4S)-1-[(5-methylpyrazin-2-yl)methyl]-4-propylpyrrolidin-3-yl]oxane-4-carboxamide?
N-[(3R,4S)-1-[(5-methylpyrazin-2-yl)methyl]-4-propylpyrrolidin-3-yl]oxane-4-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-[(5-methylpyrazin-2-yl)methyl]-4-propylpyrrolidin-3-yl]oxane-4-carboxamide is sourced from PubChem (CID 72907159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).