N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide

C20H27N3O2 — CID 119574777

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCOc1ccc(-n2c(C)cc(C(=O)NC(C)(CN)C3CC3)c2C)cc1
InChIInChI=1S/C20H27N3O2/c1-13-11-18(19(24)22-20(3,12-21)15-5-6-15)14(2)23(13)16-7-9-17(25-4)10-8-16/h7-11,15H,5-6,12,21H2,1-4H3,(H,22,24)
InChIKeyUGEKQDBCNDNKCB-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.96
Rot. Bonds6

About N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide

N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 119574777) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
PubChem CID119574777
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCOc1ccc(-n2c(C)cc(C(=O)NC(C)(CN)C3CC3)c2C)cc1
InChIInChI=1S/C20H27N3O2/c1-13-11-18(19(24)22-20(3,12-21)15-5-6-15)14(2)23(13)16-7-9-17(25-4)10-8-16/h7-11,15H,5-6,12,21H2,1-4H3,(H,22,24)
InChIKeyUGEKQDBCNDNKCB-UHFFFAOYSA-N
XLogP2.96
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 119573875
2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]acetic acid
CID 119171465
N-(3-amino-2,2-dimethylpropyl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide
CID 119655571
1-(4-methoxyphenyl)-2,5-dimethyl-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]pyrrole-3-carboxamide
CID 35245114
[2-(aminomethyl)pyrrolidin-1-yl]-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 119633449
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide;hydrochloride
CID 119572194
[2-(aminomethyl)pyrrolidin-1-yl]-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone;hydrochloride
CID 119633448
(4-aminopiperidin-1-yl)-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone;hydrochloride
CID 119375625
[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119651021
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-methoxyphenoxy)butanamide
CID 119572344
N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(3-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 56799041
[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 119412128

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide (CID 119574777) is N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide is COc1ccc(-n2c(C)cc(C(=O)NC(C)(CN)C3CC3)c2C)cc1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is UGEKQDBCNDNKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-13-11-18(19(24)22-20(3,12-21)15-5-6-15)14(2)23(13)16-7-9-17(25-4)10-8-16/h7-11,15H,5-6,12,21H2,1-4H3,(H,22,24).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 119574777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).