N-methylidene-N'-(pyridin-4-ylmethyl)propanimidamide

C10H13N3 — CID 123793658

IUPACN-methylidene-N'-(pyridin-4-ylmethyl)propanimidamide
SMILESC=N/C(CC)=N/Cc1ccncc1
InChIInChI=1S/C10H13N3/c1-3-10(11-2)13-8-9-4-6-12-7-5-9/h4-7H,2-3,8H2,1H3/b13-10+
InChIKeyMQSWVIBLIXFUHR-JLHYYAGUSA-N
MW175.23 g/mol
LogP2.09
Rot. Bonds3

About N-methylidene-N'-(pyridin-4-ylmethyl)propanimidamide

N-methylidene-N'-(pyridin-4-ylmethyl)propanimidamide (PubChem CID 123793658) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is N-methylidene-N'-(pyridin-4-ylmethyl)propanimidamide.

Molecular Properties

Compound NameN-methylidene-N'-(pyridin-4-ylmethyl)propanimidamide
PubChem CID123793658
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC NameN-methylidene-N'-(pyridin-4-ylmethyl)propanimidamide
SMILESC=N/C(CC)=N/Cc1ccncc1
InChIInChI=1S/C10H13N3/c1-3-10(11-2)13-8-9-4-6-12-7-5-9/h4-7H,2-3,8H2,1H3/b13-10+
InChIKeyMQSWVIBLIXFUHR-JLHYYAGUSA-N
XLogP2.09
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(pyridin-4-ylmethyl)guanidine;tetrahydrochloride
CID 23471478
1-amino-2-(pyridin-4-ylmethyl)guanidine
CID 23471425
N-methylidene-2-pyridin-4-ylacetamide
CID 163641230
ethane;4-ethylpyridine;methanol
CID 143096814
ethanol;4-ethylpyridine
CID 174816615
1-(2-methylpropyl)-2-(pyridin-4-ylmethyl)guanidine
CID 62362186
ethane;4-ethylpyridine
CID 142005045
N-[(2E)-3-(pyridin-4-ylmethoxy)penta-2,4-dien-2-yl]methanimine
CID 142944117
1-pyridin-4-yl-N-(pyridin-4-ylmethyl)methanimine
CID 11321538
(2R)-1-pyridin-4-ylbutan-2-ol
CID 94470888
ethane;4-(fluoromethyl)pyridine
CID 143599831
1-cyclopropyl-2-(pyridin-4-ylmethyl)guanidine
CID 62362184

Frequently Asked Questions

What is the IUPAC name of N-methylidene-N'-(pyridin-4-ylmethyl)propanimidamide?
The IUPAC name of N-methylidene-N'-(pyridin-4-ylmethyl)propanimidamide (CID 123793658) is N-methylidene-N'-(pyridin-4-ylmethyl)propanimidamide.
What is the SMILES notation for N-methylidene-N'-(pyridin-4-ylmethyl)propanimidamide?
The canonical SMILES for N-methylidene-N'-(pyridin-4-ylmethyl)propanimidamide is C=N/C(CC)=N/Cc1ccncc1.
What is the InChIKey of N-methylidene-N'-(pyridin-4-ylmethyl)propanimidamide?
The InChIKey is MQSWVIBLIXFUHR-JLHYYAGUSA-N. The full InChI is InChI=1S/C10H13N3/c1-3-10(11-2)13-8-9-4-6-12-7-5-9/h4-7H,2-3,8H2,1H3/b13-10+.
What are the key properties of N-methylidene-N'-(pyridin-4-ylmethyl)propanimidamide?
N-methylidene-N'-(pyridin-4-ylmethyl)propanimidamide has a molecular weight of 175.23 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylidene-N'-(pyridin-4-ylmethyl)propanimidamide is sourced from PubChem (CID 123793658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).