4-chloro-1-cyclopropyl-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyrrole-2-carboxamide

C14H22ClN3O2 — CID 106143139

IUPAC4-chloro-1-cyclopropyl-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyrrole-2-carboxamide
SMILESCN(C)CC(C)(O)CNC(=O)c1cc(Cl)cn1C1CC1
InChIInChI=1S/C14H22ClN3O2/c1-14(20,9-17(2)3)8-16-13(19)12-6-10(15)7-18(12)11-4-5-11/h6-7,11,20H,4-5,8-9H2,1-3H3,(H,16,19)
InChIKeyQGJKVLAIJLKUOD-UHFFFAOYSA-N
MW299.80 g/mol
LogP1.52
Rot. Bonds6

About 4-chloro-1-cyclopropyl-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyrrole-2-carboxamide

4-chloro-1-cyclopropyl-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyrrole-2-carboxamide (PubChem CID 106143139) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 4-chloro-1-cyclopropyl-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-1-cyclopropyl-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyrrole-2-carboxamide
PubChem CID106143139
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name4-chloro-1-cyclopropyl-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyrrole-2-carboxamide
SMILESCN(C)CC(C)(O)CNC(=O)c1cc(Cl)cn1C1CC1
InChIInChI=1S/C14H22ClN3O2/c1-14(20,9-17(2)3)8-16-13(19)12-6-10(15)7-18(12)11-4-5-11/h6-7,11,20H,4-5,8-9H2,1-3H3,(H,16,19)
InChIKeyQGJKVLAIJLKUOD-UHFFFAOYSA-N
XLogP1.52
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-cyclopropyl-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-1-cyclopropyl-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyrrole-2-carboxamide (CID 106143139) is 4-chloro-1-cyclopropyl-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-1-cyclopropyl-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-1-cyclopropyl-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyrrole-2-carboxamide is CN(C)CC(C)(O)CNC(=O)c1cc(Cl)cn1C1CC1.
What is the InChIKey of 4-chloro-1-cyclopropyl-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyrrole-2-carboxamide?
The InChIKey is QGJKVLAIJLKUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-14(20,9-17(2)3)8-16-13(19)12-6-10(15)7-18(12)11-4-5-11/h6-7,11,20H,4-5,8-9H2,1-3H3,(H,16,19).
What are the key properties of 4-chloro-1-cyclopropyl-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyrrole-2-carboxamide?
4-chloro-1-cyclopropyl-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyrrole-2-carboxamide has a molecular weight of 299.80 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-cyclopropyl-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyrrole-2-carboxamide is sourced from PubChem (CID 106143139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).