1-(1-hydroxyethyl)-N'-(3-methylphenyl)-4-(2-phenylethylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide

C23H30N4O — CID 145091036

IUPAC1-(1-hydroxyethyl)-N'-(3-methylphenyl)-4-(2-phenylethylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide
SMILESCc1cccc(/N=C(\N)C2=C(NCCc3ccccc3)CCN(C(C)O)C2)c1
InChIInChI=1S/C23H30N4O/c1-17-7-6-10-20(15-17)26-23(24)21-16-27(18(2)28)14-12-22(21)25-13-11-19-8-4-3-5-9-19/h3-10,15,18,25,28H,11-14,16H2,1-2H3,(H2,24,26)
InChIKeyZABCYWFFTNFUNA-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.11
Rot. Bonds7

About 1-(1-hydroxyethyl)-N'-(3-methylphenyl)-4-(2-phenylethylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide

1-(1-hydroxyethyl)-N'-(3-methylphenyl)-4-(2-phenylethylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide (PubChem CID 145091036) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-(1-hydroxyethyl)-N'-(3-methylphenyl)-4-(2-phenylethylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide.

Molecular Properties

Compound Name1-(1-hydroxyethyl)-N'-(3-methylphenyl)-4-(2-phenylethylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide
PubChem CID145091036
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name1-(1-hydroxyethyl)-N'-(3-methylphenyl)-4-(2-phenylethylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide
SMILESCc1cccc(/N=C(\N)C2=C(NCCc3ccccc3)CCN(C(C)O)C2)c1
InChIInChI=1S/C23H30N4O/c1-17-7-6-10-20(15-17)26-23(24)21-16-27(18(2)28)14-12-22(21)25-13-11-19-8-4-3-5-9-19/h3-10,15,18,25,28H,11-14,16H2,1-2H3,(H2,24,26)
InChIKeyZABCYWFFTNFUNA-UHFFFAOYSA-N
XLogP3.11
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxyethyl)-N'-(3-methylphenyl)-4-(2-phenylethylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide?
The IUPAC name of 1-(1-hydroxyethyl)-N'-(3-methylphenyl)-4-(2-phenylethylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide (CID 145091036) is 1-(1-hydroxyethyl)-N'-(3-methylphenyl)-4-(2-phenylethylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide.
What is the SMILES notation for 1-(1-hydroxyethyl)-N'-(3-methylphenyl)-4-(2-phenylethylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide?
The canonical SMILES for 1-(1-hydroxyethyl)-N'-(3-methylphenyl)-4-(2-phenylethylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide is Cc1cccc(/N=C(\N)C2=C(NCCc3ccccc3)CCN(C(C)O)C2)c1.
What is the InChIKey of 1-(1-hydroxyethyl)-N'-(3-methylphenyl)-4-(2-phenylethylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide?
The InChIKey is ZABCYWFFTNFUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-17-7-6-10-20(15-17)26-23(24)21-16-27(18(2)28)14-12-22(21)25-13-11-19-8-4-3-5-9-19/h3-10,15,18,25,28H,11-14,16H2,1-2H3,(H2,24,26).
What are the key properties of 1-(1-hydroxyethyl)-N'-(3-methylphenyl)-4-(2-phenylethylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide?
1-(1-hydroxyethyl)-N'-(3-methylphenyl)-4-(2-phenylethylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide has a molecular weight of 378.52 g/mol, XLogP of 3.11, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxyethyl)-N'-(3-methylphenyl)-4-(2-phenylethylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide is sourced from PubChem (CID 145091036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).