N-[[4-(1-aminocyclopropyl)phenyl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide

C20H27N3O — CID 118902313

IUPACN-[[4-(1-aminocyclopropyl)phenyl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(C3(N)CC3)cc2)c(C)n1C(C)C
InChIInChI=1S/C20H27N3O/c1-13(2)23-14(3)11-18(15(23)4)19(24)22-12-16-5-7-17(8-6-16)20(21)9-10-20/h5-8,11,13H,9-10,12,21H2,1-4H3,(H,22,24)
InChIKeyFTLHSGYFQIBRCM-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.56
Rot. Bonds5

About N-[[4-(1-aminocyclopropyl)phenyl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide

N-[[4-(1-aminocyclopropyl)phenyl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide (PubChem CID 118902313) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[[4-(1-aminocyclopropyl)phenyl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(1-aminocyclopropyl)phenyl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
PubChem CID118902313
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-[[4-(1-aminocyclopropyl)phenyl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(C3(N)CC3)cc2)c(C)n1C(C)C
InChIInChI=1S/C20H27N3O/c1-13(2)23-14(3)11-18(15(23)4)19(24)22-12-16-5-7-17(8-6-16)20(21)9-10-20/h5-8,11,13H,9-10,12,21H2,1-4H3,(H,22,24)
InChIKeyFTLHSGYFQIBRCM-UHFFFAOYSA-N
XLogP3.56
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[4-(1-aminocyclopropyl)phenyl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(hydroxymethyl)phenyl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 110909012
N-(3-amino-2-methylpropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 119997726
N-(2,2-diphenylpropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 18208847
3-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]-2-methylpropanoic acid
CID 119237626
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 47933184
4-[[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120542073
N-[[(2R,5S)-5-carbamoyloxolan-2-yl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 97067758
1,2,5-trimethyl-N-[(4-methylphenyl)methyl]pyrrole-3-carboxamide
CID 110691242
N-(3-methoxypropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 110698914
N-[(2-hydroxycyclopentyl)methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 111471329
2-[2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119242611
2-(benzylamino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
CID 110654006

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-aminocyclopropyl)phenyl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The IUPAC name of N-[[4-(1-aminocyclopropyl)phenyl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide (CID 118902313) is N-[[4-(1-aminocyclopropyl)phenyl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for N-[[4-(1-aminocyclopropyl)phenyl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The canonical SMILES for N-[[4-(1-aminocyclopropyl)phenyl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide is Cc1cc(C(=O)NCc2ccc(C3(N)CC3)cc2)c(C)n1C(C)C.
What is the InChIKey of N-[[4-(1-aminocyclopropyl)phenyl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The InChIKey is FTLHSGYFQIBRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-13(2)23-14(3)11-18(15(23)4)19(24)22-12-16-5-7-17(8-6-16)20(21)9-10-20/h5-8,11,13H,9-10,12,21H2,1-4H3,(H,22,24).
What are the key properties of N-[[4-(1-aminocyclopropyl)phenyl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
N-[[4-(1-aminocyclopropyl)phenyl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-aminocyclopropyl)phenyl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 118902313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).