N-[5-[6-(1-aminoethyl)-2-pyridinyl]-2-methanimidoyl-3-propan-2-ylphenyl]-6-methylpyridin-2-amine

C23H27N5 — CID 145002319

IUPACN-[5-[6-(1-aminoethyl)-2-pyridinyl]-2-methanimidoyl-3-propan-2-ylphenyl]-6-methylpyridin-2-amine
SMILES[H]/N=C/c1c(Nc2cccc(C)n2)cc(-c2cccc(C(C)N)n2)cc1C(C)C
InChIInChI=1S/C23H27N5/c1-14(2)18-11-17(21-9-6-8-20(27-21)16(4)25)12-22(19(18)13-24)28-23-10-5-7-15(3)26-23/h5-14,16,24H,25H2,1-4H3,(H,26,28)/b24-13+
InChIKeyGSIITORBRJDGIE-ZMOGYAJESA-N
MW373.50 g/mol
LogP5.34
Rot. Bonds6

About N-[5-[6-(1-aminoethyl)-2-pyridinyl]-2-methanimidoyl-3-propan-2-ylphenyl]-6-methylpyridin-2-amine

N-[5-[6-(1-aminoethyl)-2-pyridinyl]-2-methanimidoyl-3-propan-2-ylphenyl]-6-methylpyridin-2-amine (PubChem CID 145002319) has the molecular formula C23H27N5 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[5-[6-(1-aminoethyl)-2-pyridinyl]-2-methanimidoyl-3-propan-2-ylphenyl]-6-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[5-[6-(1-aminoethyl)-2-pyridinyl]-2-methanimidoyl-3-propan-2-ylphenyl]-6-methylpyridin-2-amine
PubChem CID145002319
Molecular FormulaC23H27N5
Molecular Weight373.50 g/mol
Exact Mass373.23
IUPAC NameN-[5-[6-(1-aminoethyl)-2-pyridinyl]-2-methanimidoyl-3-propan-2-ylphenyl]-6-methylpyridin-2-amine
SMILES[H]/N=C/c1c(Nc2cccc(C)n2)cc(-c2cccc(C(C)N)n2)cc1C(C)C
InChIInChI=1S/C23H27N5/c1-14(2)18-11-17(21-9-6-8-20(27-21)16(4)25)12-22(19(18)13-24)28-23-10-5-7-15(3)26-23/h5-14,16,24H,25H2,1-4H3,(H,26,28)/b24-13+
InChIKeyGSIITORBRJDGIE-ZMOGYAJESA-N
XLogP5.34
TPSA87.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[6-(1-aminoethyl)-2-pyridinyl]-2-methanimidoyl-3-propan-2-ylphenyl]-6-methylpyridin-2-amine?
The IUPAC name of N-[5-[6-(1-aminoethyl)-2-pyridinyl]-2-methanimidoyl-3-propan-2-ylphenyl]-6-methylpyridin-2-amine (CID 145002319) is N-[5-[6-(1-aminoethyl)-2-pyridinyl]-2-methanimidoyl-3-propan-2-ylphenyl]-6-methylpyridin-2-amine.
What is the SMILES notation for N-[5-[6-(1-aminoethyl)-2-pyridinyl]-2-methanimidoyl-3-propan-2-ylphenyl]-6-methylpyridin-2-amine?
The canonical SMILES for N-[5-[6-(1-aminoethyl)-2-pyridinyl]-2-methanimidoyl-3-propan-2-ylphenyl]-6-methylpyridin-2-amine is [H]/N=C/c1c(Nc2cccc(C)n2)cc(-c2cccc(C(C)N)n2)cc1C(C)C.
What is the InChIKey of N-[5-[6-(1-aminoethyl)-2-pyridinyl]-2-methanimidoyl-3-propan-2-ylphenyl]-6-methylpyridin-2-amine?
The InChIKey is GSIITORBRJDGIE-ZMOGYAJESA-N. The full InChI is InChI=1S/C23H27N5/c1-14(2)18-11-17(21-9-6-8-20(27-21)16(4)25)12-22(19(18)13-24)28-23-10-5-7-15(3)26-23/h5-14,16,24H,25H2,1-4H3,(H,26,28)/b24-13+.
What are the key properties of N-[5-[6-(1-aminoethyl)-2-pyridinyl]-2-methanimidoyl-3-propan-2-ylphenyl]-6-methylpyridin-2-amine?
N-[5-[6-(1-aminoethyl)-2-pyridinyl]-2-methanimidoyl-3-propan-2-ylphenyl]-6-methylpyridin-2-amine has a molecular weight of 373.50 g/mol, XLogP of 5.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-(1-aminoethyl)-2-pyridinyl]-2-methanimidoyl-3-propan-2-ylphenyl]-6-methylpyridin-2-amine is sourced from PubChem (CID 145002319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).