2-piperidin-1-yl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride

C17H28Cl2N4O — CID 119535955

IUPAC2-piperidin-1-yl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCC1CCNC1)c1cccnc1N1CCCCC1
InChIInChI=1S/C17H26N4O.2ClH/c22-17(20-10-7-14-6-9-18-13-14)15-5-4-8-19-16(15)21-11-2-1-3-12-21;;/h4-5,8,14,18H,1-3,6-7,9-13H2,(H,20,22);2*1H
InChIKeyKFMOEEHXGCHKFQ-UHFFFAOYSA-N
MW375.34 g/mol
LogP2.64
Rot. Bonds5

About 2-piperidin-1-yl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride

2-piperidin-1-yl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride (PubChem CID 119535955) has the molecular formula C17H28Cl2N4O and a molecular weight of 375.34 g/mol. Its IUPAC name is 2-piperidin-1-yl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-piperidin-1-yl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride
PubChem CID119535955
Molecular FormulaC17H28Cl2N4O
Molecular Weight375.34 g/mol
Exact Mass374.16
IUPAC Name2-piperidin-1-yl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCC1CCNC1)c1cccnc1N1CCCCC1
InChIInChI=1S/C17H26N4O.2ClH/c22-17(20-10-7-14-6-9-18-13-14)15-5-4-8-19-16(15)21-11-2-1-3-12-21;;/h4-5,8,14,18H,1-3,6-7,9-13H2,(H,20,22);2*1H
InChIKeyKFMOEEHXGCHKFQ-UHFFFAOYSA-N
XLogP2.64
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperidin-1-yl-N-piperidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119426882
N-piperidin-3-yl-2-pyrrolidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 119427810
N-(2-aminoethyl)-2-piperidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 119383900
2-morpholin-4-yl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 119461977
2-(4-bromophenoxy)-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride
CID 119534807
5-methyl-2-pyrrolidin-1-yl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119536950
N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide
CID 47231439
N-(3-aminopropyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119407815
N-(2-pyrrolidin-3-ylethyl)quinoline-4-carboxamide
CID 81478211
N-(2-phenylethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 3417086
2,6-dimethyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride
CID 119537084
3-chloro-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 107098145

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of 2-piperidin-1-yl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride (CID 119535955) is 2-piperidin-1-yl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 2-piperidin-1-yl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for 2-piperidin-1-yl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride is Cl.Cl.O=C(NCCC1CCNC1)c1cccnc1N1CCCCC1.
What is the InChIKey of 2-piperidin-1-yl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride?
The InChIKey is KFMOEEHXGCHKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O.2ClH/c22-17(20-10-7-14-6-9-18-13-14)15-5-4-8-19-16(15)21-11-2-1-3-12-21;;/h4-5,8,14,18H,1-3,6-7,9-13H2,(H,20,22);2*1H.
What are the key properties of 2-piperidin-1-yl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride?
2-piperidin-1-yl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride has a molecular weight of 375.34 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119535955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).