N-[(3R,4S)-1-(2-methoxypyridine-4-carbonyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide

C18H21N3O4 — CID 133127076

IUPACN-[(3R,4S)-1-(2-methoxypyridine-4-carbonyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide
SMILESCOc1cc(C(=O)N2C[C@H](NC(C)=O)[C@@H](c3ccc(C)o3)C2)ccn1
InChIInChI=1S/C18H21N3O4/c1-11-4-5-16(25-11)14-9-21(10-15(14)20-12(2)22)18(23)13-6-7-19-17(8-13)24-3/h4-8,14-15H,9-10H2,1-3H3,(H,20,22)/t14-,15-/m0/s1
InChIKeyIVEHYDRKVOVGMX-GJZGRUSLSA-N
MW343.38 g/mol
LogP1.74
Rot. Bonds4

About N-[(3R,4S)-1-(2-methoxypyridine-4-carbonyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide

N-[(3R,4S)-1-(2-methoxypyridine-4-carbonyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide (PubChem CID 133127076) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[(3R,4S)-1-(2-methoxypyridine-4-carbonyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-(2-methoxypyridine-4-carbonyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide
PubChem CID133127076
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-[(3R,4S)-1-(2-methoxypyridine-4-carbonyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide
SMILESCOc1cc(C(=O)N2C[C@H](NC(C)=O)[C@@H](c3ccc(C)o3)C2)ccn1
InChIInChI=1S/C18H21N3O4/c1-11-4-5-16(25-11)14-9-21(10-15(14)20-12(2)22)18(23)13-6-7-19-17(8-13)24-3/h4-8,14-15H,9-10H2,1-3H3,(H,20,22)/t14-,15-/m0/s1
InChIKeyIVEHYDRKVOVGMX-GJZGRUSLSA-N
XLogP1.74
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.74
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-(2-methoxypyridine-4-carbonyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3R,4S)-1-(2-methoxypyridine-4-carbonyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide (CID 133127076) is N-[(3R,4S)-1-(2-methoxypyridine-4-carbonyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R,4S)-1-(2-methoxypyridine-4-carbonyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3R,4S)-1-(2-methoxypyridine-4-carbonyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide is COc1cc(C(=O)N2C[C@H](NC(C)=O)[C@@H](c3ccc(C)o3)C2)ccn1.
What is the InChIKey of N-[(3R,4S)-1-(2-methoxypyridine-4-carbonyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is IVEHYDRKVOVGMX-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-11-4-5-16(25-11)14-9-21(10-15(14)20-12(2)22)18(23)13-6-7-19-17(8-13)24-3/h4-8,14-15H,9-10H2,1-3H3,(H,20,22)/t14-,15-/m0/s1.
What are the key properties of N-[(3R,4S)-1-(2-methoxypyridine-4-carbonyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide?
N-[(3R,4S)-1-(2-methoxypyridine-4-carbonyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 343.38 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-(2-methoxypyridine-4-carbonyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 133127076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).