4-iodo-N-(3-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide;hydrochloride

C11H17ClIN3O — CID 120555713

IUPAC4-iodo-N-(3-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)c1cc(I)c[nH]1.Cl
InChIInChI=1S/C11H16IN3O.ClH/c1-7-5-13-3-2-9(7)15-11(16)10-4-8(12)6-14-10;/h4,6-7,9,13-14H,2-3,5H2,1H3,(H,15,16);1H
InChIKeyMYOLYMUSVJNQRF-UHFFFAOYSA-N
MW369.63 g/mol
LogP1.77
Rot. Bonds2

About 4-iodo-N-(3-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide;hydrochloride

4-iodo-N-(3-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide;hydrochloride (PubChem CID 120555713) has the molecular formula C11H17ClIN3O and a molecular weight of 369.63 g/mol. Its IUPAC name is 4-iodo-N-(3-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-iodo-N-(3-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide;hydrochloride
PubChem CID120555713
Molecular FormulaC11H17ClIN3O
Molecular Weight369.63 g/mol
Exact Mass369.01
IUPAC Name4-iodo-N-(3-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)c1cc(I)c[nH]1.Cl
InChIInChI=1S/C11H16IN3O.ClH/c1-7-5-13-3-2-9(7)15-11(16)10-4-8(12)6-14-10;/h4,6-7,9,13-14H,2-3,5H2,1H3,(H,15,16);1H
InChIKeyMYOLYMUSVJNQRF-UHFFFAOYSA-N
XLogP1.77
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.63
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-N-(3-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
CID 120555714
4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557720
4-chloro-3-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557633
N-(3-methylpiperidin-4-yl)-1-oxo-2H-isoquinoline-3-carboxamide;hydrochloride
CID 120557419
4-iodo-N-(2-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
CID 120597856
5-methyl-N-(3-methylpiperidin-4-yl)pyrazine-2-carboxamide;dihydrochloride
CID 120557503
2-fluoro-6-iodo-N-(3-methylpiperidin-4-yl)benzamide
CID 120553263
2,4,6-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516935
3-fluoro-5-methyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120555221
2-acetamido-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120553729
5-ethyl-N-(3-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 120554197
3-N-(3-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 120555486

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-(3-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide;hydrochloride?
The IUPAC name of 4-iodo-N-(3-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide;hydrochloride (CID 120555713) is 4-iodo-N-(3-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-iodo-N-(3-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for 4-iodo-N-(3-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide;hydrochloride is CC1CNCCC1NC(=O)c1cc(I)c[nH]1.Cl.
What is the InChIKey of 4-iodo-N-(3-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide;hydrochloride?
The InChIKey is MYOLYMUSVJNQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O.ClH/c1-7-5-13-3-2-9(7)15-11(16)10-4-8(12)6-14-10;/h4,6-7,9,13-14H,2-3,5H2,1H3,(H,15,16);1H.
What are the key properties of 4-iodo-N-(3-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide;hydrochloride?
4-iodo-N-(3-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide;hydrochloride has a molecular weight of 369.63 g/mol, XLogP of 1.77, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-(3-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 120555713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).