5-chloro-4-[2-ethyl-3-[(3-fluorophenyl)methylamino]phenyl]-N-[4-(methylaminomethyl)cyclohexyl]pyridin-2-amine

C28H34ClFN4 — CID 123385583

IUPAC5-chloro-4-[2-ethyl-3-[(3-fluorophenyl)methylamino]phenyl]-N-[4-(methylaminomethyl)cyclohexyl]pyridin-2-amine
SMILESCCc1c(NCc2cccc(F)c2)cccc1-c1cc(NC2CCC(CNC)CC2)ncc1Cl
InChIInChI=1S/C28H34ClFN4/c1-3-23-24(8-5-9-27(23)32-17-20-6-4-7-21(30)14-20)25-15-28(33-18-26(25)29)34-22-12-10-19(11-13-22)16-31-2/h4-9,14-15,18-19,22,31-32H,3,10-13,16-17H2,1-2H3,(H,33,34)
InChIKeyMWEKJFAFIZMPKP-UHFFFAOYSA-N
MW481.06 g/mol
LogP6.91
Rot. Bonds9

About 5-chloro-4-[2-ethyl-3-[(3-fluorophenyl)methylamino]phenyl]-N-[4-(methylaminomethyl)cyclohexyl]pyridin-2-amine

5-chloro-4-[2-ethyl-3-[(3-fluorophenyl)methylamino]phenyl]-N-[4-(methylaminomethyl)cyclohexyl]pyridin-2-amine (PubChem CID 123385583) has the molecular formula C28H34ClFN4 and a molecular weight of 481.06 g/mol. Its IUPAC name is 5-chloro-4-[2-ethyl-3-[(3-fluorophenyl)methylamino]phenyl]-N-[4-(methylaminomethyl)cyclohexyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-[2-ethyl-3-[(3-fluorophenyl)methylamino]phenyl]-N-[4-(methylaminomethyl)cyclohexyl]pyridin-2-amine
PubChem CID123385583
Molecular FormulaC28H34ClFN4
Molecular Weight481.06 g/mol
Exact Mass480.25
IUPAC Name5-chloro-4-[2-ethyl-3-[(3-fluorophenyl)methylamino]phenyl]-N-[4-(methylaminomethyl)cyclohexyl]pyridin-2-amine
SMILESCCc1c(NCc2cccc(F)c2)cccc1-c1cc(NC2CCC(CNC)CC2)ncc1Cl
InChIInChI=1S/C28H34ClFN4/c1-3-23-24(8-5-9-27(23)32-17-20-6-4-7-21(30)14-20)25-15-28(33-18-26(25)29)34-22-12-10-19(11-13-22)16-31-2/h4-9,14-15,18-19,22,31-32H,3,10-13,16-17H2,1-2H3,(H,33,34)
InChIKeyMWEKJFAFIZMPKP-UHFFFAOYSA-N
XLogP6.91
TPSA48.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.06
LogP ≤ 56.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-[2-ethyl-3-[(3-fluorophenyl)methylamino]phenyl]-N-[4-(methylaminomethyl)cyclohexyl]pyridin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

4-N-[5-chloro-4-[2-ethyl-3-[(3-fluorophenyl)methylamino]phenyl]-2-pyridinyl]-2-methylcyclohexane-1,4-diamine
CID 123136104
N-[[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]methyl]ethanesulfonamide
CID 70793963
4-[2-[(4-aminocyclohexyl)amino]-5-chloro-4-pyridinyl]-2-N-[(3-fluorophenyl)methyl]benzene-1,2-diamine
CID 67691819
4-N-[5-chloro-4-[2-fluoro-5-[(3-fluorophenyl)methylamino]phenyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 67691259
5-chloro-N-cyclopropyl-4-[5-[(3-fluorophenyl)methylamino]-3-pyridinyl]pyridin-2-amine
CID 67641420
4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]-N-methylcyclohexane-1-carboxamide
CID 70793954
5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(oxan-4-yl)pyridin-2-amine
CID 70794022
4-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]-2-methylcyclohexane-1,4-diamine
CID 77460758
4-N-[4-[2-ethyl-3-[(3-fluorophenyl)methylamino]-5-(trifluoromethyl)phenyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 123884019
1-[5-chloro-4-[2-fluoro-3-[(3-fluorophenyl)methylamino]phenyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 123501926
5-chloro-N-cyclohexyl-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]pyridin-2-amine
CID 70795337
5-chloro-N-cyclohex-3-en-1-yl-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]pyridin-2-amine
CID 66937052

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[2-ethyl-3-[(3-fluorophenyl)methylamino]phenyl]-N-[4-(methylaminomethyl)cyclohexyl]pyridin-2-amine?
The IUPAC name of 5-chloro-4-[2-ethyl-3-[(3-fluorophenyl)methylamino]phenyl]-N-[4-(methylaminomethyl)cyclohexyl]pyridin-2-amine (CID 123385583) is 5-chloro-4-[2-ethyl-3-[(3-fluorophenyl)methylamino]phenyl]-N-[4-(methylaminomethyl)cyclohexyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-4-[2-ethyl-3-[(3-fluorophenyl)methylamino]phenyl]-N-[4-(methylaminomethyl)cyclohexyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-4-[2-ethyl-3-[(3-fluorophenyl)methylamino]phenyl]-N-[4-(methylaminomethyl)cyclohexyl]pyridin-2-amine is CCc1c(NCc2cccc(F)c2)cccc1-c1cc(NC2CCC(CNC)CC2)ncc1Cl.
What is the InChIKey of 5-chloro-4-[2-ethyl-3-[(3-fluorophenyl)methylamino]phenyl]-N-[4-(methylaminomethyl)cyclohexyl]pyridin-2-amine?
The InChIKey is MWEKJFAFIZMPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34ClFN4/c1-3-23-24(8-5-9-27(23)32-17-20-6-4-7-21(30)14-20)25-15-28(33-18-26(25)29)34-22-12-10-19(11-13-22)16-31-2/h4-9,14-15,18-19,22,31-32H,3,10-13,16-17H2,1-2H3,(H,33,34).
What are the key properties of 5-chloro-4-[2-ethyl-3-[(3-fluorophenyl)methylamino]phenyl]-N-[4-(methylaminomethyl)cyclohexyl]pyridin-2-amine?
5-chloro-4-[2-ethyl-3-[(3-fluorophenyl)methylamino]phenyl]-N-[4-(methylaminomethyl)cyclohexyl]pyridin-2-amine has a molecular weight of 481.06 g/mol, XLogP of 6.91, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[2-ethyl-3-[(3-fluorophenyl)methylamino]phenyl]-N-[4-(methylaminomethyl)cyclohexyl]pyridin-2-amine is sourced from PubChem (CID 123385583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).