N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(6-methyl-3-pyridinyl)ethylamino]-2-phenylacetamide

C25H26N6O — CID 139425941

IUPACN-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(6-methyl-3-pyridinyl)ethylamino]-2-phenylacetamide
SMILESCc1ccc(CCNC(C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2ccccc2)cn1
InChIInChI=1S/C25H26N6O/c1-18-8-9-19(14-27-18)12-13-26-24(20-6-4-3-5-7-20)25(32)30-23-11-10-21(15-28-23)22-16-29-31(2)17-22/h3-11,14-17,24,26H,12-13H2,1-2H3,(H,28,30,32)
InChIKeyCRGKNJMHGQMANQ-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.70
Rot. Bonds8

About N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(6-methyl-3-pyridinyl)ethylamino]-2-phenylacetamide

N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(6-methyl-3-pyridinyl)ethylamino]-2-phenylacetamide (PubChem CID 139425941) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(6-methyl-3-pyridinyl)ethylamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(6-methyl-3-pyridinyl)ethylamino]-2-phenylacetamide
PubChem CID139425941
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC NameN-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(6-methyl-3-pyridinyl)ethylamino]-2-phenylacetamide
SMILESCc1ccc(CCNC(C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2ccccc2)cn1
InChIInChI=1S/C25H26N6O/c1-18-8-9-19(14-27-18)12-13-26-24(20-6-4-3-5-7-20)25(32)30-23-11-10-21(15-28-23)22-16-29-31(2)17-22/h3-11,14-17,24,26H,12-13H2,1-2H3,(H,28,30,32)
InChIKeyCRGKNJMHGQMANQ-UHFFFAOYSA-N
XLogP3.70
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(6-methyl-3-pyridinyl)ethylamino]-2-phenylacetamide 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-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(6-methyl-3-pyridinyl)ethylamino]-2-phenylacetamide?
The IUPAC name of N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(6-methyl-3-pyridinyl)ethylamino]-2-phenylacetamide (CID 139425941) is N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(6-methyl-3-pyridinyl)ethylamino]-2-phenylacetamide.
What is the SMILES notation for N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(6-methyl-3-pyridinyl)ethylamino]-2-phenylacetamide?
The canonical SMILES for N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(6-methyl-3-pyridinyl)ethylamino]-2-phenylacetamide is Cc1ccc(CCNC(C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2ccccc2)cn1.
What is the InChIKey of N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(6-methyl-3-pyridinyl)ethylamino]-2-phenylacetamide?
The InChIKey is CRGKNJMHGQMANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c1-18-8-9-19(14-27-18)12-13-26-24(20-6-4-3-5-7-20)25(32)30-23-11-10-21(15-28-23)22-16-29-31(2)17-22/h3-11,14-17,24,26H,12-13H2,1-2H3,(H,28,30,32).
What are the key properties of N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(6-methyl-3-pyridinyl)ethylamino]-2-phenylacetamide?
N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(6-methyl-3-pyridinyl)ethylamino]-2-phenylacetamide has a molecular weight of 426.52 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(6-methyl-3-pyridinyl)ethylamino]-2-phenylacetamide is sourced from PubChem (CID 139425941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).