4-amino-N-(oxan-2-ylmethyl)-1-propan-2-ylpyrrole-2-carboxamide

C14H23N3O2 — CID 55014453

IUPAC4-amino-N-(oxan-2-ylmethyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(N)cc1C(=O)NCC1CCCCO1
InChIInChI=1S/C14H23N3O2/c1-10(2)17-9-11(15)7-13(17)14(18)16-8-12-5-3-4-6-19-12/h7,9-10,12H,3-6,8,15H2,1-2H3,(H,16,18)
InChIKeyUGIHNARWCMHDGK-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.95
Rot. Bonds4

About 4-amino-N-(oxan-2-ylmethyl)-1-propan-2-ylpyrrole-2-carboxamide

4-amino-N-(oxan-2-ylmethyl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 55014453) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-amino-N-(oxan-2-ylmethyl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(oxan-2-ylmethyl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID55014453
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-amino-N-(oxan-2-ylmethyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(N)cc1C(=O)NCC1CCCCO1
InChIInChI=1S/C14H23N3O2/c1-10(2)17-9-11(15)7-13(17)14(18)16-8-12-5-3-4-6-19-12/h7,9-10,12H,3-6,8,15H2,1-2H3,(H,16,18)
InChIKeyUGIHNARWCMHDGK-UHFFFAOYSA-N
XLogP1.95
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(oxan-2-ylmethyl)benzamide
CID 55013985
2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 19475536
5-amino-2-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 120624842
1-ethyl-N-(oxan-2-ylmethyl)-4-sulfamoylpyrrole-2-carboxamide
CID 114612266
2-amino-6-chloro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 62159652
3-amino-5-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 113396103
3-amino-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide
CID 95369014
2-(4-aminopyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 92632010
5-hydroxy-N-(oxan-2-ylmethyl)pyridine-3-carboxamide
CID 63860323
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
5-N-(2-methylpropyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109102110

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(oxan-2-ylmethyl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(oxan-2-ylmethyl)-1-propan-2-ylpyrrole-2-carboxamide (CID 55014453) is 4-amino-N-(oxan-2-ylmethyl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(oxan-2-ylmethyl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(oxan-2-ylmethyl)-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cc(N)cc1C(=O)NCC1CCCCO1.
What is the InChIKey of 4-amino-N-(oxan-2-ylmethyl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is UGIHNARWCMHDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(2)17-9-11(15)7-13(17)14(18)16-8-12-5-3-4-6-19-12/h7,9-10,12H,3-6,8,15H2,1-2H3,(H,16,18).
What are the key properties of 4-amino-N-(oxan-2-ylmethyl)-1-propan-2-ylpyrrole-2-carboxamide?
4-amino-N-(oxan-2-ylmethyl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(oxan-2-ylmethyl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 55014453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).