N-[5-[[[amino-(2,5-dimethoxyanilino)methylidene]amino]methyl]-2-pyridinyl]acetamide

C17H21N5O3 — CID 166229134

IUPACN-[5-[[[amino-(2,5-dimethoxyanilino)methylidene]amino]methyl]-2-pyridinyl]acetamide
SMILESCOc1ccc(OC)c(N/C(N)=N/Cc2ccc(NC(C)=O)nc2)c1
InChIInChI=1S/C17H21N5O3/c1-11(23)21-16-7-4-12(9-19-16)10-20-17(18)22-14-8-13(24-2)5-6-15(14)25-3/h4-9H,10H2,1-3H3,(H3,18,20,22)(H,19,21,23)
InChIKeyYURRKMDLDJLTMI-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.98
Rot. Bonds6

About N-[5-[[[amino-(2,5-dimethoxyanilino)methylidene]amino]methyl]-2-pyridinyl]acetamide

N-[5-[[[amino-(2,5-dimethoxyanilino)methylidene]amino]methyl]-2-pyridinyl]acetamide (PubChem CID 166229134) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[5-[[[amino-(2,5-dimethoxyanilino)methylidene]amino]methyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[[[amino-(2,5-dimethoxyanilino)methylidene]amino]methyl]-2-pyridinyl]acetamide
PubChem CID166229134
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC NameN-[5-[[[amino-(2,5-dimethoxyanilino)methylidene]amino]methyl]-2-pyridinyl]acetamide
SMILESCOc1ccc(OC)c(N/C(N)=N/Cc2ccc(NC(C)=O)nc2)c1
InChIInChI=1S/C17H21N5O3/c1-11(23)21-16-7-4-12(9-19-16)10-20-17(18)22-14-8-13(24-2)5-6-15(14)25-3/h4-9H,10H2,1-3H3,(H3,18,20,22)(H,19,21,23)
InChIKeyYURRKMDLDJLTMI-UHFFFAOYSA-N
XLogP1.98
TPSA110.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.98
H-Bond Donors ≤ 53
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-[3-[[[amino-(2,5-dimethoxyanilino)methylidene]amino]methyl]phenyl]acetamide
CID 111044906
1-(2,5-dimethoxyphenyl)-2-[[4-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111053856
1-(2,5-dimethoxyphenyl)-2-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 119120385
N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]acetamide
CID 113034610
2-[[amino-(2,5-dimethoxyanilino)methylidene]amino]-N-ethylacetamide
CID 111032082
1-(2,5-dimethoxyphenyl)-2-[[4-(piperidine-1-carbonyl)phenyl]methyl]guanidine
CID 111036766
1-(2,5-dimethoxyphenyl)-2-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]guanidine;hydroiodide
CID 111050209
N-[5-[[[amino-(tert-butylamino)methylidene]amino]methyl]-2-methoxyphenyl]acetamide
CID 111094528
2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(2,5-dimethoxyphenyl)guanidine;hydroiodide
CID 111049963
1-(2,5-dimethoxyphenyl)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide
CID 119119949
3-[[[amino-(2,5-dimethoxyanilino)methylidene]amino]methyl]-N-propylbenzamide
CID 111058658
N-[3-[[[amino-(2,5-dimethoxyanilino)methylidene]amino]methyl]phenyl]-2-methylbutanamide
CID 111052429

Frequently Asked Questions

What is the IUPAC name of N-[5-[[[amino-(2,5-dimethoxyanilino)methylidene]amino]methyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[[[amino-(2,5-dimethoxyanilino)methylidene]amino]methyl]-2-pyridinyl]acetamide (CID 166229134) is N-[5-[[[amino-(2,5-dimethoxyanilino)methylidene]amino]methyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[[[amino-(2,5-dimethoxyanilino)methylidene]amino]methyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[[[amino-(2,5-dimethoxyanilino)methylidene]amino]methyl]-2-pyridinyl]acetamide is COc1ccc(OC)c(N/C(N)=N/Cc2ccc(NC(C)=O)nc2)c1.
What is the InChIKey of N-[5-[[[amino-(2,5-dimethoxyanilino)methylidene]amino]methyl]-2-pyridinyl]acetamide?
The InChIKey is YURRKMDLDJLTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-11(23)21-16-7-4-12(9-19-16)10-20-17(18)22-14-8-13(24-2)5-6-15(14)25-3/h4-9H,10H2,1-3H3,(H3,18,20,22)(H,19,21,23).
What are the key properties of N-[5-[[[amino-(2,5-dimethoxyanilino)methylidene]amino]methyl]-2-pyridinyl]acetamide?
N-[5-[[[amino-(2,5-dimethoxyanilino)methylidene]amino]methyl]-2-pyridinyl]acetamide has a molecular weight of 343.39 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[[amino-(2,5-dimethoxyanilino)methylidene]amino]methyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 166229134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).