2-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1H-pyrrole-2,4-dicarboxamide

C14H21N3O3 — CID 167870611

IUPAC2-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1H-pyrrole-2,4-dicarboxamide
SMILESCC(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc(C(N)=O)c[nH]1
InChIInChI=1S/C14H21N3O3/c1-8(2)12-9(3-4-20-12)6-17-14(19)11-5-10(7-16-11)13(15)18/h5,7-9,12,16H,3-4,6H2,1-2H3,(H2,15,18)(H,17,19)/t9-,12-/m1/s1
InChIKeySMWJMDPRWRCZSI-BXKDBHETSA-N
MW279.34 g/mol
LogP0.90
Rot. Bonds5

About 2-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1H-pyrrole-2,4-dicarboxamide

2-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1H-pyrrole-2,4-dicarboxamide (PubChem CID 167870611) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1H-pyrrole-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1H-pyrrole-2,4-dicarboxamide
PubChem CID167870611
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1H-pyrrole-2,4-dicarboxamide
SMILESCC(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc(C(N)=O)c[nH]1
InChIInChI=1S/C14H21N3O3/c1-8(2)12-9(3-4-20-12)6-17-14(19)11-5-10(7-16-11)13(15)18/h5,7-9,12,16H,3-4,6H2,1-2H3,(H2,15,18)(H,17,19)/t9-,12-/m1/s1
InChIKeySMWJMDPRWRCZSI-BXKDBHETSA-N
XLogP0.90
TPSA97.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1H-pyrrole-2,4-dicarboxamide with MolForge

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Related Compounds

N-[[(2S,3R)-2-propan-2-yloxolan-3-yl]methyl]-1H-pyrazole-5-carboxamide
CID 95973460
N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-4H-furo[3,2-b]pyrrole-5-carboxamide
CID 129000650
4-(aminomethyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]benzamide;hydrochloride
CID 119343856
5-fluoro-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]pyridine-3-carboxamide
CID 129000479
4-acetyl-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide
CID 64928677
3-[[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]methyl]benzamide
CID 128993203
2-amino-N-[(2-propan-2-yloxolan-3-yl)methyl]propanamide
CID 119343855
3-methoxy-N-[[(2R,3S)-2-propan-2-yloxolan-3-yl]methyl]-1,2-oxazole-5-carboxamide
CID 97351811
2-(2-aminoethyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 120638628
2-(aminomethyl)-N-[(2-propan-2-yloxan-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 119819583
3-amino-2-methyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butanamide
CID 120502254
2,4-dimethyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1,3-oxazole-5-carboxamide
CID 100638775

Frequently Asked Questions

What is the IUPAC name of 2-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1H-pyrrole-2,4-dicarboxamide?
The IUPAC name of 2-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1H-pyrrole-2,4-dicarboxamide (CID 167870611) is 2-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1H-pyrrole-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1H-pyrrole-2,4-dicarboxamide?
The canonical SMILES for 2-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1H-pyrrole-2,4-dicarboxamide is CC(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc(C(N)=O)c[nH]1.
What is the InChIKey of 2-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1H-pyrrole-2,4-dicarboxamide?
The InChIKey is SMWJMDPRWRCZSI-BXKDBHETSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-8(2)12-9(3-4-20-12)6-17-14(19)11-5-10(7-16-11)13(15)18/h5,7-9,12,16H,3-4,6H2,1-2H3,(H2,15,18)(H,17,19)/t9-,12-/m1/s1.
What are the key properties of 2-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1H-pyrrole-2,4-dicarboxamide?
2-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1H-pyrrole-2,4-dicarboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1H-pyrrole-2,4-dicarboxamide is sourced from PubChem (CID 167870611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).