1-N-[1-[3-chloro-4-(4-fluoro-2-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-1-N'-pyridin-3-ylethene-1,1-diamine

C24H25ClFN5O — CID 166663592

IUPAC1-N-[1-[3-chloro-4-(4-fluoro-2-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-1-N'-pyridin-3-ylethene-1,1-diamine
SMILESC=C(Nc1cccnc1)NC1CCN(c2nccc(Oc3ccc(F)cc3C)c2Cl)CC1
InChIInChI=1S/C24H25ClFN5O/c1-16-14-18(26)5-6-21(16)32-22-7-11-28-24(23(22)25)31-12-8-19(9-13-31)29-17(2)30-20-4-3-10-27-15-20/h3-7,10-11,14-15,19,29-30H,2,8-9,12-13H2,1H3
InChIKeyTWHQJMIGLBRWLL-UHFFFAOYSA-N
MW453.95 g/mol
LogP5.51
Rot. Bonds7

About 1-N-[1-[3-chloro-4-(4-fluoro-2-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-1-N'-pyridin-3-ylethene-1,1-diamine

1-N-[1-[3-chloro-4-(4-fluoro-2-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-1-N'-pyridin-3-ylethene-1,1-diamine (PubChem CID 166663592) has the molecular formula C24H25ClFN5O and a molecular weight of 453.95 g/mol. Its IUPAC name is 1-N-[1-[3-chloro-4-(4-fluoro-2-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-1-N'-pyridin-3-ylethene-1,1-diamine.

Molecular Properties

Compound Name1-N-[1-[3-chloro-4-(4-fluoro-2-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-1-N'-pyridin-3-ylethene-1,1-diamine
PubChem CID166663592
Molecular FormulaC24H25ClFN5O
Molecular Weight453.95 g/mol
Exact Mass453.17
IUPAC Name1-N-[1-[3-chloro-4-(4-fluoro-2-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-1-N'-pyridin-3-ylethene-1,1-diamine
SMILESC=C(Nc1cccnc1)NC1CCN(c2nccc(Oc3ccc(F)cc3C)c2Cl)CC1
InChIInChI=1S/C24H25ClFN5O/c1-16-14-18(26)5-6-21(16)32-22-7-11-28-24(23(22)25)31-12-8-19(9-13-31)29-17(2)30-20-4-3-10-27-15-20/h3-7,10-11,14-15,19,29-30H,2,8-9,12-13H2,1H3
InChIKeyTWHQJMIGLBRWLL-UHFFFAOYSA-N
XLogP5.51
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.95
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-N-[1-[3-chloro-4-(4-fluoro-2-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-1-N'-pyridin-3-ylethene-1,1-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

1-[1-[3-chloro-4-(4-methoxy-2-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylurea
CID 164950694
1-[1-[3-chloro-4-(3-chloro-4-methoxyphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylurea
CID 164950691
1-[1-[3-chloro-4-[2-chloro-4-(trifluoromethoxy)phenoxy]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylurea
CID 134813658
1-[1-[3-chloro-4-(4-chloro-3-methoxyphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylurea
CID 165040043
1-[1-(3-chloro-4-cyclohexyloxy-2-pyridinyl)piperidin-4-yl]-3-pyridin-3-ylurea
CID 164950692
1-[1-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea
CID 155523807
1-[1-[3-methyl-4-(4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea
CID 159407189
1-N-[1-[4-[(3,4-difluorophenyl)methoxy]-2-pyridinyl]piperidin-4-yl]-1-N'-pyridin-3-ylethene-1,1-diamine
CID 166663553
1-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]-3-pyridin-3-ylthiourea
CID 146928698
1-[1-[3-cyano-4-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea
CID 147859552
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-pyridin-3-ylurea
CID 55819274
1-(4-fluoro-2-methylphenyl)-3-pyridin-3-ylurea
CID 47126026

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-[3-chloro-4-(4-fluoro-2-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-1-N'-pyridin-3-ylethene-1,1-diamine?
The IUPAC name of 1-N-[1-[3-chloro-4-(4-fluoro-2-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-1-N'-pyridin-3-ylethene-1,1-diamine (CID 166663592) is 1-N-[1-[3-chloro-4-(4-fluoro-2-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-1-N'-pyridin-3-ylethene-1,1-diamine.
What is the SMILES notation for 1-N-[1-[3-chloro-4-(4-fluoro-2-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-1-N'-pyridin-3-ylethene-1,1-diamine?
The canonical SMILES for 1-N-[1-[3-chloro-4-(4-fluoro-2-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-1-N'-pyridin-3-ylethene-1,1-diamine is C=C(Nc1cccnc1)NC1CCN(c2nccc(Oc3ccc(F)cc3C)c2Cl)CC1.
What is the InChIKey of 1-N-[1-[3-chloro-4-(4-fluoro-2-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-1-N'-pyridin-3-ylethene-1,1-diamine?
The InChIKey is TWHQJMIGLBRWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFN5O/c1-16-14-18(26)5-6-21(16)32-22-7-11-28-24(23(22)25)31-12-8-19(9-13-31)29-17(2)30-20-4-3-10-27-15-20/h3-7,10-11,14-15,19,29-30H,2,8-9,12-13H2,1H3.
What are the key properties of 1-N-[1-[3-chloro-4-(4-fluoro-2-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-1-N'-pyridin-3-ylethene-1,1-diamine?
1-N-[1-[3-chloro-4-(4-fluoro-2-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-1-N'-pyridin-3-ylethene-1,1-diamine has a molecular weight of 453.95 g/mol, XLogP of 5.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-[3-chloro-4-(4-fluoro-2-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-1-N'-pyridin-3-ylethene-1,1-diamine is sourced from PubChem (CID 166663592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).