N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrole-2-carboxamide

C15H17N3O — CID 116649879

IUPACN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrole-2-carboxamide
SMILESNc1ccc2c(c1)CCCC2NC(=O)c1ccc[nH]1
InChIInChI=1S/C15H17N3O/c16-11-6-7-12-10(9-11)3-1-4-13(12)18-15(19)14-5-2-8-17-14/h2,5-9,13,17H,1,3-4,16H2,(H,18,19)
InChIKeyVGTVCBLHERBBPO-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.40
Rot. Bonds2

About N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrole-2-carboxamide

N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrole-2-carboxamide (PubChem CID 116649879) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrole-2-carboxamide
PubChem CID116649879
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrole-2-carboxamide
SMILESNc1ccc2c(c1)CCCC2NC(=O)c1ccc[nH]1
InChIInChI=1S/C15H17N3O/c16-11-6-7-12-10(9-11)3-1-4-13(12)18-15(19)14-5-2-8-17-14/h2,5-9,13,17H,1,3-4,16H2,(H,18,19)
InChIKeyVGTVCBLHERBBPO-UHFFFAOYSA-N
XLogP2.40
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrole-2-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-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-chloro-1H-pyrrole-2-carboxamide
CID 116649798
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-bromo-1H-pyrrole-2-carboxamide
CID 116649902
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-iodobenzamide
CID 116649772
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-iodobenzamide
CID 116649897
4-(aminomethyl)-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 122081059
3-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,1-dimethylurea
CID 116650161
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dimethylthiophene-2-carboxamide
CID 116649780
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-5-bromopyridine-3-carboxamide
CID 116649702
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 116649717
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)oxane-4-carboxamide
CID 116649753
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-5-bromo-4-methylthiophene-2-carboxamide
CID 116649864
3-amino-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxamide
CID 122081064

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrole-2-carboxamide (CID 116649879) is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrole-2-carboxamide is Nc1ccc2c(c1)CCCC2NC(=O)c1ccc[nH]1.
What is the InChIKey of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is VGTVCBLHERBBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c16-11-6-7-12-10(9-11)3-1-4-13(12)18-15(19)14-5-2-8-17-14/h2,5-9,13,17H,1,3-4,16H2,(H,18,19).
What are the key properties of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrole-2-carboxamide?
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 2.40, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 116649879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).