3-[4-(pyridin-4-ylmethyl)anilino]propanimidamide

C15H18N4 — CID 83967871

IUPAC3-[4-(pyridin-4-ylmethyl)anilino]propanimidamide
SMILES[H]/N=C(\N)CCNc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C15H18N4/c16-15(17)7-10-19-14-3-1-12(2-4-14)11-13-5-8-18-9-6-13/h1-6,8-9,19H,7,10-11H2,(H3,16,17)
InChIKeyWNOBWSPTDAQUML-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.41
Rot. Bonds6

About 3-[4-(pyridin-4-ylmethyl)anilino]propanimidamide

3-[4-(pyridin-4-ylmethyl)anilino]propanimidamide (PubChem CID 83967871) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 3-[4-(pyridin-4-ylmethyl)anilino]propanimidamide.

Molecular Properties

Compound Name3-[4-(pyridin-4-ylmethyl)anilino]propanimidamide
PubChem CID83967871
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name3-[4-(pyridin-4-ylmethyl)anilino]propanimidamide
SMILES[H]/N=C(\N)CCNc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C15H18N4/c16-15(17)7-10-19-14-3-1-12(2-4-14)11-13-5-8-18-9-6-13/h1-6,8-9,19H,7,10-11H2,(H3,16,17)
InChIKeyWNOBWSPTDAQUML-UHFFFAOYSA-N
XLogP2.41
TPSA74.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.41
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

3-[4-(diethylamino)anilino]propanimidamide
CID 83967876
2-pyridin-4-ylethanimidamide
CID 5078674
4-[[4-(pyridin-4-ylmethyl)phenyl]methyl]pyridine
CID 20646252
3-(3-ethylanilino)propanimidamide;dihydrochloride
CID 172803817
4-[2-(4-carbamimidoylanilino)ethylamino]benzenecarboximidamide;dihydrochloride
CID 46837859
2-[4-(methylamino)phenyl]ethanimidamide
CID 161445184
2-amino-2-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 110460952
N-(benzotriazol-1-ylmethyl)-4-(pyridin-4-ylmethyl)aniline
CID 21233477
2-[[4-(pyridin-4-ylmethyl)anilino]methylidene]propanedinitrile
CID 17383264
2,2-dimethyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 2995900
4-(pyridin-4-ylamino)butan-2-one
CID 89125446
4-[1-hydroxy-2-[4-(pyridin-4-ylmethyl)anilino]ethyl]benzonitrile
CID 167991088

Frequently Asked Questions

What is the IUPAC name of 3-[4-(pyridin-4-ylmethyl)anilino]propanimidamide?
The IUPAC name of 3-[4-(pyridin-4-ylmethyl)anilino]propanimidamide (CID 83967871) is 3-[4-(pyridin-4-ylmethyl)anilino]propanimidamide.
What is the SMILES notation for 3-[4-(pyridin-4-ylmethyl)anilino]propanimidamide?
The canonical SMILES for 3-[4-(pyridin-4-ylmethyl)anilino]propanimidamide is [H]/N=C(\N)CCNc1ccc(Cc2ccncc2)cc1.
What is the InChIKey of 3-[4-(pyridin-4-ylmethyl)anilino]propanimidamide?
The InChIKey is WNOBWSPTDAQUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c16-15(17)7-10-19-14-3-1-12(2-4-14)11-13-5-8-18-9-6-13/h1-6,8-9,19H,7,10-11H2,(H3,16,17).
What are the key properties of 3-[4-(pyridin-4-ylmethyl)anilino]propanimidamide?
3-[4-(pyridin-4-ylmethyl)anilino]propanimidamide has a molecular weight of 254.34 g/mol, XLogP of 2.41, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(pyridin-4-ylmethyl)anilino]propanimidamide is sourced from PubChem (CID 83967871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).