4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-propan-2-ylpyrrole-2-carboxamide

C16H28N4O — CID 62994297

IUPAC4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(CNC(=O)c1cc(N)cn1C(C)C)CN1CCCC1
InChIInChI=1S/C16H28N4O/c1-12(2)20-11-14(17)8-15(20)16(21)18-9-13(3)10-19-6-4-5-7-19/h8,11-13H,4-7,9-10,17H2,1-3H3,(H,18,21)
InChIKeyCXOAEPUSILBHHL-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.11
Rot. Bonds6

About 4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-propan-2-ylpyrrole-2-carboxamide

4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 62994297) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID62994297
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(CNC(=O)c1cc(N)cn1C(C)C)CN1CCCC1
InChIInChI=1S/C16H28N4O/c1-12(2)20-11-14(17)8-15(20)16(21)18-9-13(3)10-19-6-4-5-7-19/h8,11-13H,4-7,9-10,17H2,1-3H3,(H,18,21)
InChIKeyCXOAEPUSILBHHL-UHFFFAOYSA-N
XLogP2.11
TPSA63.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-hydroxypentyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 113495460
4-amino-N-(2-cyclopentylethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 54932690
6-hydrazinyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
CID 62990482
3,5-dihydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 103892120
4-bromo-N-(1-piperidin-1-ylpropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 60954918
3-pyrrolidin-1-ylpropyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 61494361
1-tert-butyl-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]pyrazole-4-carboxamide
CID 94823248
2-amino-5-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 61139853
4-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 62636228
4-amino-N-(2-methyl-2-methylsulfonylpropyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 79552297
4-amino-N-(1-ethylpiperidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 61139289
2-amino-6-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 62993945

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-propan-2-ylpyrrole-2-carboxamide (CID 62994297) is 4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-propan-2-ylpyrrole-2-carboxamide is CC(CNC(=O)c1cc(N)cn1C(C)C)CN1CCCC1.
What is the InChIKey of 4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is CXOAEPUSILBHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-12(2)20-11-14(17)8-15(20)16(21)18-9-13(3)10-19-6-4-5-7-19/h8,11-13H,4-7,9-10,17H2,1-3H3,(H,18,21).
What are the key properties of 4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-propan-2-ylpyrrole-2-carboxamide?
4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 292.43 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 62994297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).