N'-methyl-4-phenyl-N-[4-(pyridin-2-ylamino)butyl]-3,6-dihydro-2H-pyridine-1-carboximidamide

C22H29N5 — CID 111263201

IUPACN'-methyl-4-phenyl-N-[4-(pyridin-2-ylamino)butyl]-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILESC/N=C(\NCCCCNc1ccccn1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C22H29N5/c1-23-22(26-16-8-7-15-25-21-11-5-6-14-24-21)27-17-12-20(13-18-27)19-9-3-2-4-10-19/h2-6,9-12,14H,7-8,13,15-18H2,1H3,(H,23,26)(H,24,25)
InChIKeyJDGJFJITHZPJEU-UHFFFAOYSA-N
MW363.51 g/mol
LogP3.64
Rot. Bonds7

About N'-methyl-4-phenyl-N-[4-(pyridin-2-ylamino)butyl]-3,6-dihydro-2H-pyridine-1-carboximidamide

N'-methyl-4-phenyl-N-[4-(pyridin-2-ylamino)butyl]-3,6-dihydro-2H-pyridine-1-carboximidamide (PubChem CID 111263201) has the molecular formula C22H29N5 and a molecular weight of 363.51 g/mol. Its IUPAC name is N'-methyl-4-phenyl-N-[4-(pyridin-2-ylamino)butyl]-3,6-dihydro-2H-pyridine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-4-phenyl-N-[4-(pyridin-2-ylamino)butyl]-3,6-dihydro-2H-pyridine-1-carboximidamide
PubChem CID111263201
Molecular FormulaC22H29N5
Molecular Weight363.51 g/mol
Exact Mass363.24
IUPAC NameN'-methyl-4-phenyl-N-[4-(pyridin-2-ylamino)butyl]-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILESC/N=C(\NCCCCNc1ccccn1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C22H29N5/c1-23-22(26-16-8-7-15-25-21-11-5-6-14-24-21)27-17-12-20(13-18-27)19-9-3-2-4-10-19/h2-6,9-12,14H,7-8,13,15-18H2,1H3,(H,23,26)(H,24,25)
InChIKeyJDGJFJITHZPJEU-UHFFFAOYSA-N
XLogP3.64
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[7-(dimethylamino)heptyl]-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide
CID 111263288
4-benzyl-N'-methyl-N-[4-(pyridin-2-ylamino)butyl]piperazine-1-carboximidamide
CID 110960223
N',4-dimethyl-N-[4-(pyridin-2-ylamino)butyl]piperidine-1-carboximidamide;hydroiodide
CID 111209976
N-[4-(2-methoxyethoxy)butyl]-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111263345
N'-methyl-3-phenyl-N-[4-(pyridin-2-ylamino)butyl]pyrrolidine-1-carboximidamide
CID 111724285
N-(2-imidazol-1-ylethyl)-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 119131238
N'-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide
CID 111264058
N-[2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]ethyl]pyrazine-2-carboxamide
CID 119131288
3-benzyl-N'-methyl-N-[4-(pyridin-2-ylamino)butyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111725610
N'-methyl-4-[(E)-3-phenylprop-2-enyl]-N-[4-(pyridin-2-ylamino)butyl]piperazine-1-carboximidamide
CID 111218335
N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide
CID 111263120
N'-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111264045

Frequently Asked Questions

What is the IUPAC name of N'-methyl-4-phenyl-N-[4-(pyridin-2-ylamino)butyl]-3,6-dihydro-2H-pyridine-1-carboximidamide?
The IUPAC name of N'-methyl-4-phenyl-N-[4-(pyridin-2-ylamino)butyl]-3,6-dihydro-2H-pyridine-1-carboximidamide (CID 111263201) is N'-methyl-4-phenyl-N-[4-(pyridin-2-ylamino)butyl]-3,6-dihydro-2H-pyridine-1-carboximidamide.
What is the SMILES notation for N'-methyl-4-phenyl-N-[4-(pyridin-2-ylamino)butyl]-3,6-dihydro-2H-pyridine-1-carboximidamide?
The canonical SMILES for N'-methyl-4-phenyl-N-[4-(pyridin-2-ylamino)butyl]-3,6-dihydro-2H-pyridine-1-carboximidamide is C/N=C(\NCCCCNc1ccccn1)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of N'-methyl-4-phenyl-N-[4-(pyridin-2-ylamino)butyl]-3,6-dihydro-2H-pyridine-1-carboximidamide?
The InChIKey is JDGJFJITHZPJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5/c1-23-22(26-16-8-7-15-25-21-11-5-6-14-24-21)27-17-12-20(13-18-27)19-9-3-2-4-10-19/h2-6,9-12,14H,7-8,13,15-18H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N'-methyl-4-phenyl-N-[4-(pyridin-2-ylamino)butyl]-3,6-dihydro-2H-pyridine-1-carboximidamide?
N'-methyl-4-phenyl-N-[4-(pyridin-2-ylamino)butyl]-3,6-dihydro-2H-pyridine-1-carboximidamide has a molecular weight of 363.51 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-4-phenyl-N-[4-(pyridin-2-ylamino)butyl]-3,6-dihydro-2H-pyridine-1-carboximidamide is sourced from PubChem (CID 111263201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).