N-methyl-5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyridine-2-carboxamide;hydrochloride

C16H24ClN5O2 — CID 120996292

IUPACN-methyl-5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyridine-2-carboxamide;hydrochloride
SMILESCNC(=O)c1ccc(C(=O)N2CCC(N3CCNCC3)C2)cn1.Cl
InChIInChI=1S/C16H23N5O2.ClH/c1-17-15(22)14-3-2-12(10-19-14)16(23)21-7-4-13(11-21)20-8-5-18-6-9-20;/h2-3,10,13,18H,4-9,11H2,1H3,(H,17,22);1H
InChIKeyVCBOERRCGLRWTH-UHFFFAOYSA-N
MW353.85 g/mol
LogP-0.02
Rot. Bonds3

About N-methyl-5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyridine-2-carboxamide;hydrochloride

N-methyl-5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyridine-2-carboxamide;hydrochloride (PubChem CID 120996292) has the molecular formula C16H24ClN5O2 and a molecular weight of 353.85 g/mol. Its IUPAC name is N-methyl-5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyridine-2-carboxamide;hydrochloride
PubChem CID120996292
Molecular FormulaC16H24ClN5O2
Molecular Weight353.85 g/mol
Exact Mass353.16
IUPAC NameN-methyl-5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyridine-2-carboxamide;hydrochloride
SMILESCNC(=O)c1ccc(C(=O)N2CCC(N3CCNCC3)C2)cn1.Cl
InChIInChI=1S/C16H23N5O2.ClH/c1-17-15(22)14-3-2-12(10-19-14)16(23)21-7-4-13(11-21)20-8-5-18-6-9-20;/h2-3,10,13,18H,4-9,11H2,1H3,(H,17,22);1H
InChIKeyVCBOERRCGLRWTH-UHFFFAOYSA-N
XLogP-0.02
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyridine-2-carboxamide;hydrochloride?
The IUPAC name of N-methyl-5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyridine-2-carboxamide;hydrochloride (CID 120996292) is N-methyl-5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-methyl-5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for N-methyl-5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyridine-2-carboxamide;hydrochloride is CNC(=O)c1ccc(C(=O)N2CCC(N3CCNCC3)C2)cn1.Cl.
What is the InChIKey of N-methyl-5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyridine-2-carboxamide;hydrochloride?
The InChIKey is VCBOERRCGLRWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2.ClH/c1-17-15(22)14-3-2-12(10-19-14)16(23)21-7-4-13(11-21)20-8-5-18-6-9-20;/h2-3,10,13,18H,4-9,11H2,1H3,(H,17,22);1H.
What are the key properties of N-methyl-5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyridine-2-carboxamide;hydrochloride?
N-methyl-5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyridine-2-carboxamide;hydrochloride has a molecular weight of 353.85 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 120996292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).