N-cyclopentyl-N-[2-(5-methoxy-2-methylanilino)-5-(methylamino)-4-pyridinyl]formamide

C20H26N4O2 — CID 166983480

IUPACN-cyclopentyl-N-[2-(5-methoxy-2-methylanilino)-5-(methylamino)-4-pyridinyl]formamide
SMILESCNc1cnc(Nc2cc(OC)ccc2C)cc1N(C=O)C1CCCC1
InChIInChI=1S/C20H26N4O2/c1-14-8-9-16(26-3)10-17(14)23-20-11-19(18(21-2)12-22-20)24(13-25)15-6-4-5-7-15/h8-13,15,21H,4-7H2,1-3H3,(H,22,23)
InChIKeyPACMLOYZORTYCK-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.09
Rot. Bonds7

About N-cyclopentyl-N-[2-(5-methoxy-2-methylanilino)-5-(methylamino)-4-pyridinyl]formamide

N-cyclopentyl-N-[2-(5-methoxy-2-methylanilino)-5-(methylamino)-4-pyridinyl]formamide (PubChem CID 166983480) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-cyclopentyl-N-[2-(5-methoxy-2-methylanilino)-5-(methylamino)-4-pyridinyl]formamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[2-(5-methoxy-2-methylanilino)-5-(methylamino)-4-pyridinyl]formamide
PubChem CID166983480
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-cyclopentyl-N-[2-(5-methoxy-2-methylanilino)-5-(methylamino)-4-pyridinyl]formamide
SMILESCNc1cnc(Nc2cc(OC)ccc2C)cc1N(C=O)C1CCCC1
InChIInChI=1S/C20H26N4O2/c1-14-8-9-16(26-3)10-17(14)23-20-11-19(18(21-2)12-22-20)24(13-25)15-6-4-5-7-15/h8-13,15,21H,4-7H2,1-3H3,(H,22,23)
InChIKeyPACMLOYZORTYCK-UHFFFAOYSA-N
XLogP4.09
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-cyclopentyl-N-[2-(5-methoxy-2-methylanilino)-5-(methylamino)-4-pyridinyl]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-cyclopentyl-N-[2-(5-methoxy-2-methylanilino)-5-(methylamino)-4-pyridinyl]formamide?
The IUPAC name of N-cyclopentyl-N-[2-(5-methoxy-2-methylanilino)-5-(methylamino)-4-pyridinyl]formamide (CID 166983480) is N-cyclopentyl-N-[2-(5-methoxy-2-methylanilino)-5-(methylamino)-4-pyridinyl]formamide.
What is the SMILES notation for N-cyclopentyl-N-[2-(5-methoxy-2-methylanilino)-5-(methylamino)-4-pyridinyl]formamide?
The canonical SMILES for N-cyclopentyl-N-[2-(5-methoxy-2-methylanilino)-5-(methylamino)-4-pyridinyl]formamide is CNc1cnc(Nc2cc(OC)ccc2C)cc1N(C=O)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-[2-(5-methoxy-2-methylanilino)-5-(methylamino)-4-pyridinyl]formamide?
The InChIKey is PACMLOYZORTYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-14-8-9-16(26-3)10-17(14)23-20-11-19(18(21-2)12-22-20)24(13-25)15-6-4-5-7-15/h8-13,15,21H,4-7H2,1-3H3,(H,22,23).
What are the key properties of N-cyclopentyl-N-[2-(5-methoxy-2-methylanilino)-5-(methylamino)-4-pyridinyl]formamide?
N-cyclopentyl-N-[2-(5-methoxy-2-methylanilino)-5-(methylamino)-4-pyridinyl]formamide has a molecular weight of 354.45 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[2-(5-methoxy-2-methylanilino)-5-(methylamino)-4-pyridinyl]formamide is sourced from PubChem (CID 166983480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).