N-(3-amino-2-methylpropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide

C14H25N3O — CID 119997726

IUPACN-(3-amino-2-methylpropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCC(C)CN)c(C)n1C(C)C
InChIInChI=1S/C14H25N3O/c1-9(2)17-11(4)6-13(12(17)5)14(18)16-8-10(3)7-15/h6,9-10H,7-8,15H2,1-5H3,(H,16,18)
InChIKeySBWWAIXSUCDECI-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.01
Rot. Bonds5

About N-(3-amino-2-methylpropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide

N-(3-amino-2-methylpropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide (PubChem CID 119997726) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
PubChem CID119997726
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-(3-amino-2-methylpropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCC(C)CN)c(C)n1C(C)C
InChIInChI=1S/C14H25N3O/c1-9(2)17-11(4)6-13(12(17)5)14(18)16-8-10(3)7-15/h6,9-10H,7-8,15H2,1-5H3,(H,16,18)
InChIKeySBWWAIXSUCDECI-UHFFFAOYSA-N
XLogP2.01
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-amino-2-methylpropyl)-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

3-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]-2-methylpropanoic acid
CID 119237626
N-(3-amino-2-methylpropyl)-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 119996973
N-(3-methoxypropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 110698914
2-[2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119242611
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 110889489
N-(3-amino-2-methylpropyl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 119996967
N-(2,2-diphenylpropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 18208847
N-[[2-(hydroxymethyl)phenyl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 110909012
N-[(2-hydroxycyclopentyl)methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 111471329
N-(3-amino-2-methylpropyl)-2-methylbenzamide
CID 62666683
2,5-dimethyl-1-propan-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrole-3-carboxamide;hydrochloride
CID 120813412
N-[[(2R,5S)-5-carbamoyloxolan-2-yl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 97067758

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide (CID 119997726) is N-(3-amino-2-methylpropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide is Cc1cc(C(=O)NCC(C)CN)c(C)n1C(C)C.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The InChIKey is SBWWAIXSUCDECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-9(2)17-11(4)6-13(12(17)5)14(18)16-8-10(3)7-15/h6,9-10H,7-8,15H2,1-5H3,(H,16,18).
What are the key properties of N-(3-amino-2-methylpropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
N-(3-amino-2-methylpropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 119997726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).