2-chloro-N-(3-fluoro-4-methoxyphenyl)pyridin-4-amine;2-N-(cyclohexylmethyl)-4-N-(3-fluoro-4-methoxyphenyl)pyridine-2,4-diamine

C31H34ClF2N5O2 — CID 160965193

IUPAC2-chloro-N-(3-fluoro-4-methoxyphenyl)pyridin-4-amine;2-N-(cyclohexylmethyl)-4-N-(3-fluoro-4-methoxyphenyl)pyridine-2,4-diamine
SMILESCOc1ccc(Nc2ccnc(Cl)c2)cc1F.COc1ccc(Nc2ccnc(NCC3CCCCC3)c2)cc1F
InChIInChI=1S/C19H24FN3O.C12H10ClFN2O/c1-24-18-8-7-15(11-17(18)20)23-16-9-10-21-19(12-16)22-13-14-5-3-2-4-6-14;1-17-11-3-2-8(6-10(11)14)16-9-4-5-15-12(13)7-9/h7-12,14H,2-6,13H2,1H3,(H2,21,22,23);2-7H,1H3,(H,15,16)
InChIKeySXNJQGFZHFNKDM-UHFFFAOYSA-N
MW582.10 g/mol
LogP8.59
Rot. Bonds9

About 2-chloro-N-(3-fluoro-4-methoxyphenyl)pyridin-4-amine;2-N-(cyclohexylmethyl)-4-N-(3-fluoro-4-methoxyphenyl)pyridine-2,4-diamine

2-chloro-N-(3-fluoro-4-methoxyphenyl)pyridin-4-amine;2-N-(cyclohexylmethyl)-4-N-(3-fluoro-4-methoxyphenyl)pyridine-2,4-diamine (PubChem CID 160965193) has the molecular formula C31H34ClF2N5O2 and a molecular weight of 582.10 g/mol. Its IUPAC name is 2-chloro-N-(3-fluoro-4-methoxyphenyl)pyridin-4-amine;2-N-(cyclohexylmethyl)-4-N-(3-fluoro-4-methoxyphenyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name2-chloro-N-(3-fluoro-4-methoxyphenyl)pyridin-4-amine;2-N-(cyclohexylmethyl)-4-N-(3-fluoro-4-methoxyphenyl)pyridine-2,4-diamine
PubChem CID160965193
Molecular FormulaC31H34ClF2N5O2
Molecular Weight582.10 g/mol
Exact Mass581.24
IUPAC Name2-chloro-N-(3-fluoro-4-methoxyphenyl)pyridin-4-amine;2-N-(cyclohexylmethyl)-4-N-(3-fluoro-4-methoxyphenyl)pyridine-2,4-diamine
SMILESCOc1ccc(Nc2ccnc(Cl)c2)cc1F.COc1ccc(Nc2ccnc(NCC3CCCCC3)c2)cc1F
InChIInChI=1S/C19H24FN3O.C12H10ClFN2O/c1-24-18-8-7-15(11-17(18)20)23-16-9-10-21-19(12-16)22-13-14-5-3-2-4-6-14;1-17-11-3-2-8(6-10(11)14)16-9-4-5-15-12(13)7-9/h7-12,14H,2-6,13H2,1H3,(H2,21,22,23);2-7H,1H3,(H,15,16)
InChIKeySXNJQGFZHFNKDM-UHFFFAOYSA-N
XLogP8.59
TPSA80.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.10
LogP ≤ 58.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-N-(3-fluoro-4-methoxyphenyl)pyridin-4-amine;2-N-(cyclohexylmethyl)-4-N-(3-fluoro-4-methoxyphenyl)pyridine-2,4-diamine 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

6-N-(cyclohexylmethyl)-4-N-[2-[ethyl(methyl)amino]butyl]-2-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 142223468
2-N-ethyl-4-N-(4-fluoro-3-methoxyphenyl)pyridine-2,4-diamine
CID 114841089
5-chloro-N-(cyclohexylmethyl)-2-methoxyaniline
CID 43079026
N-(3-fluoro-4-methoxyphenyl)cycloheptanamine
CID 43380636
3-chloro-N-(cyclopentylmethyl)-4-methoxyaniline
CID 61342616
4-(3-fluoro-4-methoxyanilino)pyridine-2-carbonitrile
CID 62927039
1-[2-[[[4-(cyclohexylmethylamino)-6-(3-fluoro-4-methoxyanilino)-1,3,5-triazin-2-yl]amino]methyl]-1-ethylpyrrolidin-1-ium-1-yl]ethanone chloride
CID 69485043
2-N-cycloheptyl-6-N-[(1-ethyl-1-methylpyrrolidin-1-ium-2-yl)methyl]-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine iodide
CID 69485022
6-N-(cyclohexylmethyl)-4-N-(3-fluoro-4-methoxyphenyl)-2-N-(1-pyrazolidin-1-ylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 91116861
6-N-(cyclohexylmethyl)-2-N-(3-fluoro-4-methoxyphenyl)-4-N-[[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]pyrrolidin-2-yl]methyl]-1,3,5-triazine-2,4,6-triamine
CID 11410999
6-(azepan-1-yl)-2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 10296205
6-chloro-2-ethyl-N-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine
CID 80936780

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-fluoro-4-methoxyphenyl)pyridin-4-amine;2-N-(cyclohexylmethyl)-4-N-(3-fluoro-4-methoxyphenyl)pyridine-2,4-diamine?
The IUPAC name of 2-chloro-N-(3-fluoro-4-methoxyphenyl)pyridin-4-amine;2-N-(cyclohexylmethyl)-4-N-(3-fluoro-4-methoxyphenyl)pyridine-2,4-diamine (CID 160965193) is 2-chloro-N-(3-fluoro-4-methoxyphenyl)pyridin-4-amine;2-N-(cyclohexylmethyl)-4-N-(3-fluoro-4-methoxyphenyl)pyridine-2,4-diamine.
What is the SMILES notation for 2-chloro-N-(3-fluoro-4-methoxyphenyl)pyridin-4-amine;2-N-(cyclohexylmethyl)-4-N-(3-fluoro-4-methoxyphenyl)pyridine-2,4-diamine?
The canonical SMILES for 2-chloro-N-(3-fluoro-4-methoxyphenyl)pyridin-4-amine;2-N-(cyclohexylmethyl)-4-N-(3-fluoro-4-methoxyphenyl)pyridine-2,4-diamine is COc1ccc(Nc2ccnc(Cl)c2)cc1F.COc1ccc(Nc2ccnc(NCC3CCCCC3)c2)cc1F.
What is the InChIKey of 2-chloro-N-(3-fluoro-4-methoxyphenyl)pyridin-4-amine;2-N-(cyclohexylmethyl)-4-N-(3-fluoro-4-methoxyphenyl)pyridine-2,4-diamine?
The InChIKey is SXNJQGFZHFNKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O.C12H10ClFN2O/c1-24-18-8-7-15(11-17(18)20)23-16-9-10-21-19(12-16)22-13-14-5-3-2-4-6-14;1-17-11-3-2-8(6-10(11)14)16-9-4-5-15-12(13)7-9/h7-12,14H,2-6,13H2,1H3,(H2,21,22,23);2-7H,1H3,(H,15,16).
What are the key properties of 2-chloro-N-(3-fluoro-4-methoxyphenyl)pyridin-4-amine;2-N-(cyclohexylmethyl)-4-N-(3-fluoro-4-methoxyphenyl)pyridine-2,4-diamine?
2-chloro-N-(3-fluoro-4-methoxyphenyl)pyridin-4-amine;2-N-(cyclohexylmethyl)-4-N-(3-fluoro-4-methoxyphenyl)pyridine-2,4-diamine has a molecular weight of 582.10 g/mol, XLogP of 8.59, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-fluoro-4-methoxyphenyl)pyridin-4-amine;2-N-(cyclohexylmethyl)-4-N-(3-fluoro-4-methoxyphenyl)pyridine-2,4-diamine is sourced from PubChem (CID 160965193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).