2-[[5-chloro-2-(oxan-4-ylamino)-4-pyridinyl]amino]-N-methylbenzamide

C18H21ClN4O2 — CID 91758407

IUPAC2-[[5-chloro-2-(oxan-4-ylamino)-4-pyridinyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1Nc1cc(NC2CCOCC2)ncc1Cl
InChIInChI=1S/C18H21ClN4O2/c1-20-18(24)13-4-2-3-5-15(13)23-16-10-17(21-11-14(16)19)22-12-6-8-25-9-7-12/h2-5,10-12H,6-9H2,1H3,(H,20,24)(H2,21,22,23)
InChIKeyOYYNQAPQYQZOFQ-UHFFFAOYSA-N
MW360.85 g/mol
LogP3.43
Rot. Bonds5

About 2-[[5-chloro-2-(oxan-4-ylamino)-4-pyridinyl]amino]-N-methylbenzamide

2-[[5-chloro-2-(oxan-4-ylamino)-4-pyridinyl]amino]-N-methylbenzamide (PubChem CID 91758407) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is 2-[[5-chloro-2-(oxan-4-ylamino)-4-pyridinyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name2-[[5-chloro-2-(oxan-4-ylamino)-4-pyridinyl]amino]-N-methylbenzamide
PubChem CID91758407
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC Name2-[[5-chloro-2-(oxan-4-ylamino)-4-pyridinyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1Nc1cc(NC2CCOCC2)ncc1Cl
InChIInChI=1S/C18H21ClN4O2/c1-20-18(24)13-4-2-3-5-15(13)23-16-10-17(21-11-14(16)19)22-12-6-8-25-9-7-12/h2-5,10-12H,6-9H2,1H3,(H,20,24)(H2,21,22,23)
InChIKeyOYYNQAPQYQZOFQ-UHFFFAOYSA-N
XLogP3.43
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[5-chloro-2-(oxan-4-ylamino)-4-pyridinyl]amino]-N-methylbenzamide 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 2-[[5-chloro-2-(oxan-4-ylamino)-4-pyridinyl]amino]-N-methylbenzamide?
The IUPAC name of 2-[[5-chloro-2-(oxan-4-ylamino)-4-pyridinyl]amino]-N-methylbenzamide (CID 91758407) is 2-[[5-chloro-2-(oxan-4-ylamino)-4-pyridinyl]amino]-N-methylbenzamide.
What is the SMILES notation for 2-[[5-chloro-2-(oxan-4-ylamino)-4-pyridinyl]amino]-N-methylbenzamide?
The canonical SMILES for 2-[[5-chloro-2-(oxan-4-ylamino)-4-pyridinyl]amino]-N-methylbenzamide is CNC(=O)c1ccccc1Nc1cc(NC2CCOCC2)ncc1Cl.
What is the InChIKey of 2-[[5-chloro-2-(oxan-4-ylamino)-4-pyridinyl]amino]-N-methylbenzamide?
The InChIKey is OYYNQAPQYQZOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-20-18(24)13-4-2-3-5-15(13)23-16-10-17(21-11-14(16)19)22-12-6-8-25-9-7-12/h2-5,10-12H,6-9H2,1H3,(H,20,24)(H2,21,22,23).
What are the key properties of 2-[[5-chloro-2-(oxan-4-ylamino)-4-pyridinyl]amino]-N-methylbenzamide?
2-[[5-chloro-2-(oxan-4-ylamino)-4-pyridinyl]amino]-N-methylbenzamide has a molecular weight of 360.85 g/mol, XLogP of 3.43, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-(oxan-4-ylamino)-4-pyridinyl]amino]-N-methylbenzamide is sourced from PubChem (CID 91758407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).