4-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)-1H-pyrrole-2-carboxamide

C14H20BrN3O — CID 106626847

IUPAC4-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(c1cc(Br)c[nH]1)N(CC1CCCCN1)C1CC1
InChIInChI=1S/C14H20BrN3O/c15-10-7-13(17-8-10)14(19)18(12-4-5-12)9-11-3-1-2-6-16-11/h7-8,11-12,16-17H,1-6,9H2
InChIKeyWZQWFTBJWLDAJV-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.52
Rot. Bonds4

About 4-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)-1H-pyrrole-2-carboxamide

4-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)-1H-pyrrole-2-carboxamide (PubChem CID 106626847) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 4-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)-1H-pyrrole-2-carboxamide
PubChem CID106626847
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name4-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(c1cc(Br)c[nH]1)N(CC1CCCCN1)C1CC1
InChIInChI=1S/C14H20BrN3O/c15-10-7-13(17-8-10)14(19)18(12-4-5-12)9-11-3-1-2-6-16-11/h7-8,11-12,16-17H,1-6,9H2
InChIKeyWZQWFTBJWLDAJV-UHFFFAOYSA-N
XLogP2.52
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2-oxo-N-(piperidin-2-ylmethyl)-1,3-dihydroimidazole-4-carboxamide
CID 106626866
4-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide
CID 60955759
4-bromo-N-cyclohexyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide
CID 54942689
5-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)thiophene-2-carboxamide
CID 106626893
N-cyclopropyl-N-(piperidin-2-ylmethyl)pyridine-2-carboxamide
CID 106627024
N-cyclopropyl-2,5-dihydroxy-N-(piperidin-2-ylmethyl)benzamide
CID 107725344
N-cyclopropyl-N-(piperidin-2-ylmethyl)acetamide
CID 66569474
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 106599332
2-(4-bromophenyl)-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 104974020
2-bromo-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)furan-3-carboxamide
CID 106855243
4-chloro-N-cyclopropyl-2-fluoro-N-(piperidin-2-ylmethyl)benzamide
CID 106626825
5-chloro-N-cyclopropyl-N-(piperidin-2-ylmethyl)pyridine-2-carboxamide
CID 106626904

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)-1H-pyrrole-2-carboxamide (CID 106626847) is 4-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)-1H-pyrrole-2-carboxamide is O=C(c1cc(Br)c[nH]1)N(CC1CCCCN1)C1CC1.
What is the InChIKey of 4-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is WZQWFTBJWLDAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c15-10-7-13(17-8-10)14(19)18(12-4-5-12)9-11-3-1-2-6-16-11/h7-8,11-12,16-17H,1-6,9H2.
What are the key properties of 4-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)-1H-pyrrole-2-carboxamide?
4-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 326.24 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 106626847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).