N-[4-[[5-chloro-4-[5-fluoro-6-[(4-methyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]-2-methoxyacetamide

C26H35ClFN5O3 — CID 70793960

IUPACN-[4-[[5-chloro-4-[5-fluoro-6-[(4-methyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCC(Nc2cc(-c3ccc(F)c(NCC4(C)CCOCC4)n3)c(Cl)cn2)CC1
InChIInChI=1S/C26H35ClFN5O3/c1-26(9-11-36-12-10-26)16-30-25-21(28)7-8-22(33-25)19-13-23(29-14-20(19)27)31-17-3-5-18(6-4-17)32-24(34)15-35-2/h7-8,13-14,17-18H,3-6,9-12,15-16H2,1-2H3,(H,29,31)(H,30,33)(H,32,34)
InChIKeyHNTMMAYQNLHBQG-UHFFFAOYSA-N
MW520.05 g/mol
LogP4.65
Rot. Bonds9

About N-[4-[[5-chloro-4-[5-fluoro-6-[(4-methyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]-2-methoxyacetamide

N-[4-[[5-chloro-4-[5-fluoro-6-[(4-methyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]-2-methoxyacetamide (PubChem CID 70793960) has the molecular formula C26H35ClFN5O3 and a molecular weight of 520.05 g/mol. Its IUPAC name is N-[4-[[5-chloro-4-[5-fluoro-6-[(4-methyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[4-[[5-chloro-4-[5-fluoro-6-[(4-methyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]-2-methoxyacetamide
PubChem CID70793960
Molecular FormulaC26H35ClFN5O3
Molecular Weight520.05 g/mol
Exact Mass519.24
IUPAC NameN-[4-[[5-chloro-4-[5-fluoro-6-[(4-methyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCC(Nc2cc(-c3ccc(F)c(NCC4(C)CCOCC4)n3)c(Cl)cn2)CC1
InChIInChI=1S/C26H35ClFN5O3/c1-26(9-11-36-12-10-26)16-30-25-21(28)7-8-22(33-25)19-13-23(29-14-20(19)27)31-17-3-5-18(6-4-17)32-24(34)15-35-2/h7-8,13-14,17-18H,3-6,9-12,15-16H2,1-2H3,(H,29,31)(H,30,33)(H,32,34)
InChIKeyHNTMMAYQNLHBQG-UHFFFAOYSA-N
XLogP4.65
TPSA97.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.05
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-[[5-chloro-4-[5-fluoro-6-[(4-methyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]-2-methoxyacetamide 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-[4-[[5-chloro-4-[5-fluoro-6-[(4-methyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]-2-methoxyacetamide?
The IUPAC name of N-[4-[[5-chloro-4-[5-fluoro-6-[(4-methyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]-2-methoxyacetamide (CID 70793960) is N-[4-[[5-chloro-4-[5-fluoro-6-[(4-methyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]-2-methoxyacetamide.
What is the SMILES notation for N-[4-[[5-chloro-4-[5-fluoro-6-[(4-methyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]-2-methoxyacetamide?
The canonical SMILES for N-[4-[[5-chloro-4-[5-fluoro-6-[(4-methyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]-2-methoxyacetamide is COCC(=O)NC1CCC(Nc2cc(-c3ccc(F)c(NCC4(C)CCOCC4)n3)c(Cl)cn2)CC1.
What is the InChIKey of N-[4-[[5-chloro-4-[5-fluoro-6-[(4-methyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]-2-methoxyacetamide?
The InChIKey is HNTMMAYQNLHBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35ClFN5O3/c1-26(9-11-36-12-10-26)16-30-25-21(28)7-8-22(33-25)19-13-23(29-14-20(19)27)31-17-3-5-18(6-4-17)32-24(34)15-35-2/h7-8,13-14,17-18H,3-6,9-12,15-16H2,1-2H3,(H,29,31)(H,30,33)(H,32,34).
What are the key properties of N-[4-[[5-chloro-4-[5-fluoro-6-[(4-methyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]-2-methoxyacetamide?
N-[4-[[5-chloro-4-[5-fluoro-6-[(4-methyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]-2-methoxyacetamide has a molecular weight of 520.05 g/mol, XLogP of 4.65, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-chloro-4-[5-fluoro-6-[(4-methyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]-2-methoxyacetamide is sourced from PubChem (CID 70793960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).