4-iodo-N-(2-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide

C11H16IN3O — CID 120597856

IUPAC4-iodo-N-(2-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
SMILESCC1CC(NC(=O)c2cc(I)c[nH]2)CCN1
InChIInChI=1S/C11H16IN3O/c1-7-4-9(2-3-13-7)15-11(16)10-5-8(12)6-14-10/h5-7,9,13-14H,2-4H2,1H3,(H,15,16)
InChIKeySWHAAIMMRGQASG-UHFFFAOYSA-N
MW333.17 g/mol
LogP1.49
Rot. Bonds2

About 4-iodo-N-(2-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide

4-iodo-N-(2-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide (PubChem CID 120597856) has the molecular formula C11H16IN3O and a molecular weight of 333.17 g/mol. Its IUPAC name is 4-iodo-N-(2-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-iodo-N-(2-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
PubChem CID120597856
Molecular FormulaC11H16IN3O
Molecular Weight333.17 g/mol
Exact Mass333.03
IUPAC Name4-iodo-N-(2-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
SMILESCC1CC(NC(=O)c2cc(I)c[nH]2)CCN1
InChIInChI=1S/C11H16IN3O/c1-7-4-9(2-3-13-7)15-11(16)10-5-8(12)6-14-10/h5-7,9,13-14H,2-4H2,1H3,(H,15,16)
InChIKeySWHAAIMMRGQASG-UHFFFAOYSA-N
XLogP1.49
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-iodo-N-(2-methylpiperidin-4-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

4-chloro-N-(2-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
CID 106995370
N-(2-methylpiperidin-4-yl)-4-nitro-1H-pyrrole-2-carboxamide;hydrochloride
CID 120598419
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-iodo-1H-pyrrole-2-carboxamide;hydrochloride
CID 119457865
2-iodo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995591
4-iodo-N-(3-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
CID 120555714
N-(2-methylpiperidin-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 120599049
4-iodo-N-(3-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide;hydrochloride
CID 120555713
N-(2-methylpiperidin-4-yl)-1-oxo-2H-isoquinoline-3-carboxamide;hydrochloride
CID 120598863
N-(2-methylpiperidin-4-yl)-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride
CID 120600855
4-acetyl-N-(2-methylpiperidin-4-yl)benzamide
CID 120601544
2-methyl-N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-carboxamide
CID 120599004
4-methoxy-N-(2-methylpiperidin-4-yl)benzamide
CID 106995490

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-(2-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-iodo-N-(2-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide (CID 120597856) is 4-iodo-N-(2-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-iodo-N-(2-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-iodo-N-(2-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide is CC1CC(NC(=O)c2cc(I)c[nH]2)CCN1.
What is the InChIKey of 4-iodo-N-(2-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is SWHAAIMMRGQASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O/c1-7-4-9(2-3-13-7)15-11(16)10-5-8(12)6-14-10/h5-7,9,13-14H,2-4H2,1H3,(H,15,16).
What are the key properties of 4-iodo-N-(2-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide?
4-iodo-N-(2-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 333.17 g/mol, XLogP of 1.49, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-(2-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 120597856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).