N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-1H-pyrrole-3-carboxamide

C14H23N3O3 — CID 91796143

IUPACN-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-1H-pyrrole-3-carboxamide
SMILESCN(C)CCO[C@H]1CCOC[C@H]1NC(=O)c1cc[nH]c1
InChIInChI=1S/C14H23N3O3/c1-17(2)6-8-20-13-4-7-19-10-12(13)16-14(18)11-3-5-15-9-11/h3,5,9,12-13,15H,4,6-8,10H2,1-2H3,(H,16,18)/t12-,13+/m1/s1
InChIKeyOHDQYDPDQDRKLZ-OLZOCXBDSA-N
MW281.36 g/mol
LogP0.48
Rot. Bonds6

About N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-1H-pyrrole-3-carboxamide

N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-1H-pyrrole-3-carboxamide (PubChem CID 91796143) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-1H-pyrrole-3-carboxamide
PubChem CID91796143
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-1H-pyrrole-3-carboxamide
SMILESCN(C)CCO[C@H]1CCOC[C@H]1NC(=O)c1cc[nH]c1
InChIInChI=1S/C14H23N3O3/c1-17(2)6-8-20-13-4-7-19-10-12(13)16-14(18)11-3-5-15-9-11/h3,5,9,12-13,15H,4,6-8,10H2,1-2H3,(H,16,18)/t12-,13+/m1/s1
InChIKeyOHDQYDPDQDRKLZ-OLZOCXBDSA-N
XLogP0.48
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-1H-pyrrole-3-carboxamide (CID 91796143) is N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-1H-pyrrole-3-carboxamide is CN(C)CCO[C@H]1CCOC[C@H]1NC(=O)c1cc[nH]c1.
What is the InChIKey of N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-1H-pyrrole-3-carboxamide?
The InChIKey is OHDQYDPDQDRKLZ-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-17(2)6-8-20-13-4-7-19-10-12(13)16-14(18)11-3-5-15-9-11/h3,5,9,12-13,15H,4,6-8,10H2,1-2H3,(H,16,18)/t12-,13+/m1/s1.
What are the key properties of N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-1H-pyrrole-3-carboxamide?
N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-1H-pyrrole-3-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 91796143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).