(4-amino-1-propylpyrrol-2-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone

C14H23N3O — CID 79187908

IUPAC(4-amino-1-propylpyrrol-2-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
SMILESCCCn1cc(N)cc1C(=O)N1CC(C)C(C)C1
InChIInChI=1S/C14H23N3O/c1-4-5-16-9-12(15)6-13(16)14(18)17-7-10(2)11(3)8-17/h6,9-11H,4-5,7-8,15H2,1-3H3
InChIKeyPWJYPQWFVKGQDJ-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.21
Rot. Bonds3

About (4-amino-1-propylpyrrol-2-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone

(4-amino-1-propylpyrrol-2-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone (PubChem CID 79187908) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is (4-amino-1-propylpyrrol-2-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-propylpyrrol-2-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
PubChem CID79187908
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name(4-amino-1-propylpyrrol-2-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
SMILESCCCn1cc(N)cc1C(=O)N1CC(C)C(C)C1
InChIInChI=1S/C14H23N3O/c1-4-5-16-9-12(15)6-13(16)14(18)17-7-10(2)11(3)8-17/h6,9-11H,4-5,7-8,15H2,1-3H3
InChIKeyPWJYPQWFVKGQDJ-UHFFFAOYSA-N
XLogP2.21
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-1-propylpyrrol-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211714
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(4-amino-1-propylpyrrol-2-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 43644030
(4-amino-1-propylpyrrol-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81096346
(4-amino-1-propylpyrrol-2-yl)-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone
CID 63149723
(4-amino-1-propylpyrrol-2-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107209719
(4-amino-1-ethylpyrrol-2-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81459512
1-(4-amino-1-propylpyrrole-2-carbonyl)-N-methylpiperidine-3-carboxamide
CID 103194095
4-amino-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide
CID 43643445
(4-amino-1-ethylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 43642024
(4-bromo-1-propylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102932964
4-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide
CID 63243289

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-propylpyrrol-2-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-amino-1-propylpyrrol-2-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone (CID 79187908) is (4-amino-1-propylpyrrol-2-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-amino-1-propylpyrrol-2-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-amino-1-propylpyrrol-2-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone is CCCn1cc(N)cc1C(=O)N1CC(C)C(C)C1.
What is the InChIKey of (4-amino-1-propylpyrrol-2-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone?
The InChIKey is PWJYPQWFVKGQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-5-16-9-12(15)6-13(16)14(18)17-7-10(2)11(3)8-17/h6,9-11H,4-5,7-8,15H2,1-3H3.
What are the key properties of (4-amino-1-propylpyrrol-2-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone?
(4-amino-1-propylpyrrol-2-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone has a molecular weight of 249.36 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-propylpyrrol-2-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 79187908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).