3-[[[ethylamino-(2-pyridin-2-ylethylamino)methylidene]amino]methyl]benzamide

C18H23N5O — CID 111192760

IUPAC3-[[[ethylamino-(2-pyridin-2-ylethylamino)methylidene]amino]methyl]benzamide
SMILESCCN/C(=N\Cc1cccc(C(N)=O)c1)NCCc1ccccn1
InChIInChI=1S/C18H23N5O/c1-2-20-18(22-11-9-16-8-3-4-10-21-16)23-13-14-6-5-7-15(12-14)17(19)24/h3-8,10,12H,2,9,11,13H2,1H3,(H2,19,24)(H2,20,22,23)
InChIKeyCMYOIZOBKGSQCP-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.48
Rot. Bonds7

About 3-[[[ethylamino-(2-pyridin-2-ylethylamino)methylidene]amino]methyl]benzamide

3-[[[ethylamino-(2-pyridin-2-ylethylamino)methylidene]amino]methyl]benzamide (PubChem CID 111192760) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 3-[[[ethylamino-(2-pyridin-2-ylethylamino)methylidene]amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[[ethylamino-(2-pyridin-2-ylethylamino)methylidene]amino]methyl]benzamide
PubChem CID111192760
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name3-[[[ethylamino-(2-pyridin-2-ylethylamino)methylidene]amino]methyl]benzamide
SMILESCCN/C(=N\Cc1cccc(C(N)=O)c1)NCCc1ccccn1
InChIInChI=1S/C18H23N5O/c1-2-20-18(22-11-9-16-8-3-4-10-21-16)23-13-14-6-5-7-15(12-14)17(19)24/h3-8,10,12H,2,9,11,13H2,1H3,(H2,19,24)(H2,20,22,23)
InChIKeyCMYOIZOBKGSQCP-UHFFFAOYSA-N
XLogP1.48
TPSA92.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

2-[(3-bromophenyl)methyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111192390
3-[[[[2-(2-chlorophenyl)ethylamino]-(ethylamino)methylidene]amino]methyl]benzamide
CID 111883189
N-[3-[[[ethylamino-(2-pyridin-2-ylethylamino)methylidene]amino]methyl]phenyl]-3-methylbutanamide
CID 111192658
N-(2-amino-2-oxoethyl)-4-[[[ethylamino-(2-pyridin-2-ylethylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 111191579
3-[2-[[N-ethyl-N'-(pyridin-2-ylmethyl)carbamimidoyl]amino]ethyl]-N-methylbenzamide;hydroiodide
CID 111632353
1-ethyl-2-(naphthalen-2-ylmethyl)-3-(2-pyridin-2-ylethyl)guanidine
CID 111191622
2-[(3-cyanophenyl)methyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111193565
3-[2-[[N-ethyl-N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide
CID 111667870
4-[[[ethylamino-(pyridin-2-ylmethylamino)methylidene]amino]methyl]benzamide
CID 110969558
3-[2-[[N-ethyl-N'-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]carbamimidoyl]amino]ethyl]-N-methylbenzamide;hydroiodide
CID 111631749
N-[3-[[[ethylamino-(2-pyridin-2-ylethylamino)methylidene]amino]methyl]phenyl]oxolane-2-carboxamide;hydroiodide
CID 111193227
1-ethyl-2-[(3-fluoro-4-methylphenyl)methyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111191443

Frequently Asked Questions

What is the IUPAC name of 3-[[[ethylamino-(2-pyridin-2-ylethylamino)methylidene]amino]methyl]benzamide?
The IUPAC name of 3-[[[ethylamino-(2-pyridin-2-ylethylamino)methylidene]amino]methyl]benzamide (CID 111192760) is 3-[[[ethylamino-(2-pyridin-2-ylethylamino)methylidene]amino]methyl]benzamide.
What is the SMILES notation for 3-[[[ethylamino-(2-pyridin-2-ylethylamino)methylidene]amino]methyl]benzamide?
The canonical SMILES for 3-[[[ethylamino-(2-pyridin-2-ylethylamino)methylidene]amino]methyl]benzamide is CCN/C(=N\Cc1cccc(C(N)=O)c1)NCCc1ccccn1.
What is the InChIKey of 3-[[[ethylamino-(2-pyridin-2-ylethylamino)methylidene]amino]methyl]benzamide?
The InChIKey is CMYOIZOBKGSQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-2-20-18(22-11-9-16-8-3-4-10-21-16)23-13-14-6-5-7-15(12-14)17(19)24/h3-8,10,12H,2,9,11,13H2,1H3,(H2,19,24)(H2,20,22,23).
What are the key properties of 3-[[[ethylamino-(2-pyridin-2-ylethylamino)methylidene]amino]methyl]benzamide?
3-[[[ethylamino-(2-pyridin-2-ylethylamino)methylidene]amino]methyl]benzamide has a molecular weight of 325.42 g/mol, XLogP of 1.48, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[ethylamino-(2-pyridin-2-ylethylamino)methylidene]amino]methyl]benzamide is sourced from PubChem (CID 111192760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).