N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide

C21H30N6O — CID 111220361

IUPACN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
SMILESC/N=C(\NCC(c1ccco1)N1CCCC1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H30N6O/c1-22-21(27-14-12-26(13-15-27)20-8-2-3-9-23-20)24-17-18(19-7-6-16-28-19)25-10-4-5-11-25/h2-3,6-9,16,18H,4-5,10-15,17H2,1H3,(H,22,24)
InChIKeyCQFIUDUJQGJHQF-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.21
Rot. Bonds5

About N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide (PubChem CID 111220361) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
PubChem CID111220361
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC NameN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
SMILESC/N=C(\NCC(c1ccco1)N1CCCC1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H30N6O/c1-22-21(27-14-12-26(13-15-27)20-8-2-3-9-23-20)24-17-18(19-7-6-16-28-19)25-10-4-5-11-25/h2-3,6-9,16,18H,4-5,10-15,17H2,1H3,(H,22,24)
InChIKeyCQFIUDUJQGJHQF-UHFFFAOYSA-N
XLogP2.21
TPSA60.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 119114411
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111220205
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 110969958
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109377573
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 111738364
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111221324
N-[2-[[N-methyl-C-(4-pyridin-2-ylpiperazin-1-yl)carbonimidoyl]amino]ethyl]furan-2-carboxamide
CID 111219555
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111732603
N'-methyl-4-pyridin-2-yl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperazine-1-carboximidamide
CID 111221689
N'-methyl-4-pyridin-2-yl-N-(2-pyridin-2-ylethyl)piperazine-1-carboximidamide
CID 111219091
3-benzyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methylpyrrolidine-1-carboximidamide
CID 111724655
N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111221102

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide?
The IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide (CID 111220361) is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide is C/N=C(\NCC(c1ccco1)N1CCCC1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide?
The InChIKey is CQFIUDUJQGJHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c1-22-21(27-14-12-26(13-15-27)20-8-2-3-9-23-20)24-17-18(19-7-6-16-28-19)25-10-4-5-11-25/h2-3,6-9,16,18H,4-5,10-15,17H2,1H3,(H,22,24).
What are the key properties of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide?
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide has a molecular weight of 382.51 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide is sourced from PubChem (CID 111220361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).