N-[2-(3-methylbutylamino)-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide

C23H26N4O — CID 87269434

IUPACN-[2-(3-methylbutylamino)-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
SMILESCC(C)CCNc1nc(-c2ccccc2)ccc1N(C=O)Cc1cccnc1
InChIInChI=1S/C23H26N4O/c1-18(2)12-14-25-23-22(27(17-28)16-19-7-6-13-24-15-19)11-10-21(26-23)20-8-4-3-5-9-20/h3-11,13,15,17-18H,12,14,16H2,1-2H3,(H,25,26)
InChIKeySEUMMUZZIRFQMP-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.76
Rot. Bonds9

About N-[2-(3-methylbutylamino)-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide

N-[2-(3-methylbutylamino)-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide (PubChem CID 87269434) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[2-(3-methylbutylamino)-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide.

Molecular Properties

Compound NameN-[2-(3-methylbutylamino)-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
PubChem CID87269434
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-[2-(3-methylbutylamino)-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
SMILESCC(C)CCNc1nc(-c2ccccc2)ccc1N(C=O)Cc1cccnc1
InChIInChI=1S/C23H26N4O/c1-18(2)12-14-25-23-22(27(17-28)16-19-7-6-13-24-15-19)11-10-21(26-23)20-8-4-3-5-9-20/h3-11,13,15,17-18H,12,14,16H2,1-2H3,(H,25,26)
InChIKeySEUMMUZZIRFQMP-UHFFFAOYSA-N
XLogP4.76
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(3-methylbutylamino)-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylbutylamino)-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide?
The IUPAC name of N-[2-(3-methylbutylamino)-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide (CID 87269434) is N-[2-(3-methylbutylamino)-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide.
What is the SMILES notation for N-[2-(3-methylbutylamino)-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide?
The canonical SMILES for N-[2-(3-methylbutylamino)-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide is CC(C)CCNc1nc(-c2ccccc2)ccc1N(C=O)Cc1cccnc1.
What is the InChIKey of N-[2-(3-methylbutylamino)-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide?
The InChIKey is SEUMMUZZIRFQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-18(2)12-14-25-23-22(27(17-28)16-19-7-6-13-24-15-19)11-10-21(26-23)20-8-4-3-5-9-20/h3-11,13,15,17-18H,12,14,16H2,1-2H3,(H,25,26).
What are the key properties of N-[2-(3-methylbutylamino)-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide?
N-[2-(3-methylbutylamino)-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide has a molecular weight of 374.49 g/mol, XLogP of 4.76, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylbutylamino)-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide is sourced from PubChem (CID 87269434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).