N'-methyl-3-piperidin-1-yl-N-[2-(pyrazin-2-ylamino)ethyl]pyrrolidine-1-carboximidamide

C17H29N7 — CID 119142987

IUPACN'-methyl-3-piperidin-1-yl-N-[2-(pyrazin-2-ylamino)ethyl]pyrrolidine-1-carboximidamide
SMILESC/N=C(\NCCNc1cnccn1)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C17H29N7/c1-18-17(22-9-8-21-16-13-19-6-7-20-16)24-12-5-15(14-24)23-10-3-2-4-11-23/h6-7,13,15H,2-5,8-12,14H2,1H3,(H,18,22)(H,20,21)
InChIKeyQGOPKNUULIXLSJ-UHFFFAOYSA-N
MW331.47 g/mol
LogP1.02
Rot. Bonds5

About N'-methyl-3-piperidin-1-yl-N-[2-(pyrazin-2-ylamino)ethyl]pyrrolidine-1-carboximidamide

N'-methyl-3-piperidin-1-yl-N-[2-(pyrazin-2-ylamino)ethyl]pyrrolidine-1-carboximidamide (PubChem CID 119142987) has the molecular formula C17H29N7 and a molecular weight of 331.47 g/mol. Its IUPAC name is N'-methyl-3-piperidin-1-yl-N-[2-(pyrazin-2-ylamino)ethyl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-3-piperidin-1-yl-N-[2-(pyrazin-2-ylamino)ethyl]pyrrolidine-1-carboximidamide
PubChem CID119142987
Molecular FormulaC17H29N7
Molecular Weight331.47 g/mol
Exact Mass331.25
IUPAC NameN'-methyl-3-piperidin-1-yl-N-[2-(pyrazin-2-ylamino)ethyl]pyrrolidine-1-carboximidamide
SMILESC/N=C(\NCCNc1cnccn1)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C17H29N7/c1-18-17(22-9-8-21-16-13-19-6-7-20-16)24-12-5-15(14-24)23-10-3-2-4-11-23/h6-7,13,15H,2-5,8-12,14H2,1H3,(H,18,22)(H,20,21)
InChIKeyQGOPKNUULIXLSJ-UHFFFAOYSA-N
XLogP1.02
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.47
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide
CID 119145392
N-(2-imidazol-1-ylethyl)-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 119143155
N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide
CID 119159796
N'-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 119130984
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 119157133
4-(furan-2-carbonyl)-N'-methyl-N-[2-(pyrazin-2-ylamino)ethyl]piperazine-1-carboximidamide
CID 119130447
N'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-1-ylpyrrolidine-1-carboximidamide
CID 119143025
N'-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 119143111
N'-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-1-ylpyrrolidine-1-carboximidamide
CID 119143243
N'-methyl-3-pyrrolidin-1-yl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111994544
N'-methyl-3-piperidin-1-yl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidine-1-carboximidamide
CID 119142967
N'-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-3-piperidin-1-ylpyrrolidine-1-carboximidamide
CID 119143190

Frequently Asked Questions

What is the IUPAC name of N'-methyl-3-piperidin-1-yl-N-[2-(pyrazin-2-ylamino)ethyl]pyrrolidine-1-carboximidamide?
The IUPAC name of N'-methyl-3-piperidin-1-yl-N-[2-(pyrazin-2-ylamino)ethyl]pyrrolidine-1-carboximidamide (CID 119142987) is N'-methyl-3-piperidin-1-yl-N-[2-(pyrazin-2-ylamino)ethyl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-methyl-3-piperidin-1-yl-N-[2-(pyrazin-2-ylamino)ethyl]pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-methyl-3-piperidin-1-yl-N-[2-(pyrazin-2-ylamino)ethyl]pyrrolidine-1-carboximidamide is C/N=C(\NCCNc1cnccn1)N1CCC(N2CCCCC2)C1.
What is the InChIKey of N'-methyl-3-piperidin-1-yl-N-[2-(pyrazin-2-ylamino)ethyl]pyrrolidine-1-carboximidamide?
The InChIKey is QGOPKNUULIXLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N7/c1-18-17(22-9-8-21-16-13-19-6-7-20-16)24-12-5-15(14-24)23-10-3-2-4-11-23/h6-7,13,15H,2-5,8-12,14H2,1H3,(H,18,22)(H,20,21).
What are the key properties of N'-methyl-3-piperidin-1-yl-N-[2-(pyrazin-2-ylamino)ethyl]pyrrolidine-1-carboximidamide?
N'-methyl-3-piperidin-1-yl-N-[2-(pyrazin-2-ylamino)ethyl]pyrrolidine-1-carboximidamide has a molecular weight of 331.47 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-3-piperidin-1-yl-N-[2-(pyrazin-2-ylamino)ethyl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 119142987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).