N-[6-(4-methylphenyl)-2-(2-pyridin-2-ylethylamino)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide

C26H25N5O — CID 87269534

IUPACN-[6-(4-methylphenyl)-2-(2-pyridin-2-ylethylamino)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
SMILESCc1ccc(-c2ccc(N(C=O)Cc3cccnc3)c(NCCc3ccccn3)n2)cc1
InChIInChI=1S/C26H25N5O/c1-20-7-9-22(10-8-20)24-11-12-25(31(19-32)18-21-5-4-14-27-17-21)26(30-24)29-16-13-23-6-2-3-15-28-23/h2-12,14-15,17,19H,13,16,18H2,1H3,(H,29,30)
InChIKeyOMLZKNGUEUXZSP-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.66
Rot. Bonds9

About N-[6-(4-methylphenyl)-2-(2-pyridin-2-ylethylamino)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide

N-[6-(4-methylphenyl)-2-(2-pyridin-2-ylethylamino)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide (PubChem CID 87269534) has the molecular formula C26H25N5O and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[6-(4-methylphenyl)-2-(2-pyridin-2-ylethylamino)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide.

Molecular Properties

Compound NameN-[6-(4-methylphenyl)-2-(2-pyridin-2-ylethylamino)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
PubChem CID87269534
Molecular FormulaC26H25N5O
Molecular Weight423.52 g/mol
Exact Mass423.21
IUPAC NameN-[6-(4-methylphenyl)-2-(2-pyridin-2-ylethylamino)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
SMILESCc1ccc(-c2ccc(N(C=O)Cc3cccnc3)c(NCCc3ccccn3)n2)cc1
InChIInChI=1S/C26H25N5O/c1-20-7-9-22(10-8-20)24-11-12-25(31(19-32)18-21-5-4-14-27-17-21)26(30-24)29-16-13-23-6-2-3-15-28-23/h2-12,14-15,17,19H,13,16,18H2,1H3,(H,29,30)
InChIKeyOMLZKNGUEUXZSP-UHFFFAOYSA-N
XLogP4.66
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methylphenyl)-2-(2-pyridin-2-ylethylamino)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide?
The IUPAC name of N-[6-(4-methylphenyl)-2-(2-pyridin-2-ylethylamino)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide (CID 87269534) is N-[6-(4-methylphenyl)-2-(2-pyridin-2-ylethylamino)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide.
What is the SMILES notation for N-[6-(4-methylphenyl)-2-(2-pyridin-2-ylethylamino)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide?
The canonical SMILES for N-[6-(4-methylphenyl)-2-(2-pyridin-2-ylethylamino)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide is Cc1ccc(-c2ccc(N(C=O)Cc3cccnc3)c(NCCc3ccccn3)n2)cc1.
What is the InChIKey of N-[6-(4-methylphenyl)-2-(2-pyridin-2-ylethylamino)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide?
The InChIKey is OMLZKNGUEUXZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O/c1-20-7-9-22(10-8-20)24-11-12-25(31(19-32)18-21-5-4-14-27-17-21)26(30-24)29-16-13-23-6-2-3-15-28-23/h2-12,14-15,17,19H,13,16,18H2,1H3,(H,29,30).
What are the key properties of N-[6-(4-methylphenyl)-2-(2-pyridin-2-ylethylamino)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide?
N-[6-(4-methylphenyl)-2-(2-pyridin-2-ylethylamino)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide has a molecular weight of 423.52 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methylphenyl)-2-(2-pyridin-2-ylethylamino)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide is sourced from PubChem (CID 87269534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).