N-[2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]ethyl]pyrazine-2-carboxamide

C20H24N6O — CID 119131288

IUPACN-[2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]ethyl]pyrazine-2-carboxamide
SMILESC/N=C(\NCCNC(=O)c1cnccn1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C20H24N6O/c1-21-20(25-12-11-24-19(27)18-15-22-9-10-23-18)26-13-7-17(8-14-26)16-5-3-2-4-6-16/h2-7,9-10,15H,8,11-14H2,1H3,(H,21,25)(H,24,27)
InChIKeyIFPBLXRGGUSPFE-UHFFFAOYSA-N
MW364.45 g/mol
LogP1.57
Rot. Bonds5

About N-[2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]ethyl]pyrazine-2-carboxamide

N-[2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]ethyl]pyrazine-2-carboxamide (PubChem CID 119131288) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]ethyl]pyrazine-2-carboxamide
PubChem CID119131288
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC NameN-[2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]ethyl]pyrazine-2-carboxamide
SMILESC/N=C(\NCCNC(=O)c1cnccn1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C20H24N6O/c1-21-20(25-12-11-24-19(27)18-15-22-9-10-23-18)26-13-7-17(8-14-26)16-5-3-2-4-6-16/h2-7,9-10,15H,8,11-14H2,1H3,(H,21,25)(H,24,27)
InChIKeyIFPBLXRGGUSPFE-UHFFFAOYSA-N
XLogP1.57
TPSA82.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]ethyl]pyridine-3-carboxamide
CID 111263791
N-[2-[[N-methyl-C-(4-pyrimidin-2-ylpiperazin-1-yl)carbonimidoyl]amino]ethyl]pyrazine-2-carboxamide
CID 119130742
N-[2-[[N-methyl-C-(4-pyrimidin-2-ylpiperazin-1-yl)carbonimidoyl]amino]ethyl]pyrazine-2-carboxamide;hydroiodide
CID 119130741
N-(2-imidazol-1-ylethyl)-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 119131238
N-[2-(benzenesulfonamido)ethyl]-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111263909
N'-methyl-4-phenyl-N-[4-(pyridin-2-ylamino)butyl]-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111263201
N-[4-(2-methoxyethoxy)butyl]-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111263345
N'-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111264045
N-methyl-2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]acetamide;hydroiodide
CID 119131233
N-[2-[[ethylamino-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111263280
N-(2-methoxyethyl)-2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]acetamide;hydroiodide
CID 111263224
N'-methyl-4-phenyl-N-(2-thiophen-2-ylethyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide
CID 111263738

Frequently Asked Questions

What is the IUPAC name of N-[2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]ethyl]pyrazine-2-carboxamide (CID 119131288) is N-[2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]ethyl]pyrazine-2-carboxamide is C/N=C(\NCCNC(=O)c1cnccn1)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of N-[2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]ethyl]pyrazine-2-carboxamide?
The InChIKey is IFPBLXRGGUSPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-21-20(25-12-11-24-19(27)18-15-22-9-10-23-18)26-13-7-17(8-14-26)16-5-3-2-4-6-16/h2-7,9-10,15H,8,11-14H2,1H3,(H,21,25)(H,24,27).
What are the key properties of N-[2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]ethyl]pyrazine-2-carboxamide?
N-[2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]ethyl]pyrazine-2-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 119131288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).