4-bromo-1-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide

C14H22BrN3O — CID 104971697

IUPAC4-bromo-1-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)NCC[C@H]1CCCN1
InChIInChI=1S/C14H22BrN3O/c1-2-8-18-10-11(15)9-13(18)14(19)17-7-5-12-4-3-6-16-12/h9-10,12,16H,2-8H2,1H3,(H,17,19)/t12-/m1/s1
InChIKeyBCAWGZOVNNTWAY-GFCCVEGCSA-N
MW328.25 g/mol
LogP2.53
Rot. Bonds6

About 4-bromo-1-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide

4-bromo-1-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide (PubChem CID 104971697) has the molecular formula C14H22BrN3O and a molecular weight of 328.25 g/mol. Its IUPAC name is 4-bromo-1-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
PubChem CID104971697
Molecular FormulaC14H22BrN3O
Molecular Weight328.25 g/mol
Exact Mass327.09
IUPAC Name4-bromo-1-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)NCC[C@H]1CCCN1
InChIInChI=1S/C14H22BrN3O/c1-2-8-18-10-11(15)9-13(18)14(19)17-7-5-12-4-3-6-16-12/h9-10,12,16H,2-8H2,1H3,(H,17,19)/t12-/m1/s1
InChIKeyBCAWGZOVNNTWAY-GFCCVEGCSA-N
XLogP2.53
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
CID 104955320
4-bromo-1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
CID 119510103
4-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-propylpyrrole-2-carboxamide
CID 61242007
4-bromo-N-(cyclopropylmethyl)-1-propylpyrrole-2-carboxamide
CID 43640684
1-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
CID 104971730
4-cyano-1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
CID 74238300
1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
CID 104955194
4-bromo-N-(3-hydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 43639903
4-bromo-N-(3-morpholin-4-ylpropyl)-1-propylpyrrole-2-carboxamide
CID 43641464
3-ethyl-1-methyl-N-(2-piperidin-2-ylethyl)pyrazole-5-carboxamide
CID 66120526
4-bromo-N-(oxan-4-ylmethyl)-1-propylpyrrole-2-carboxamide
CID 55226070
4-bromo-1-propyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide
CID 64530027

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide (CID 104971697) is 4-bromo-1-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide is CCCn1cc(Br)cc1C(=O)NCC[C@H]1CCCN1.
What is the InChIKey of 4-bromo-1-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide?
The InChIKey is BCAWGZOVNNTWAY-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22BrN3O/c1-2-8-18-10-11(15)9-13(18)14(19)17-7-5-12-4-3-6-16-12/h9-10,12,16H,2-8H2,1H3,(H,17,19)/t12-/m1/s1.
What are the key properties of 4-bromo-1-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide?
4-bromo-1-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide has a molecular weight of 328.25 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 104971697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).