2-[2-[(4-aminocyclohexyl)amino]-5-chloro-4-pyridinyl]-6-[(3-fluorophenyl)methylamino]pyridine-4-carboxamide

C24H26ClFN6O — CID 66937229

IUPAC2-[2-[(4-aminocyclohexyl)amino]-5-chloro-4-pyridinyl]-6-[(3-fluorophenyl)methylamino]pyridine-4-carboxamide
SMILESNC(=O)c1cc(NCc2cccc(F)c2)nc(-c2cc(NC3CCC(N)CC3)ncc2Cl)c1
InChIInChI=1S/C24H26ClFN6O/c25-20-13-30-23(31-18-6-4-17(27)5-7-18)11-19(20)21-9-15(24(28)33)10-22(32-21)29-12-14-2-1-3-16(26)8-14/h1-3,8-11,13,17-18H,4-7,12,27H2,(H2,28,33)(H,29,32)(H,30,31)
InChIKeyWWVQLIDDZJGLTP-UHFFFAOYSA-N
MW468.96 g/mol
LogP4.33
Rot. Bonds7

About 2-[2-[(4-aminocyclohexyl)amino]-5-chloro-4-pyridinyl]-6-[(3-fluorophenyl)methylamino]pyridine-4-carboxamide

2-[2-[(4-aminocyclohexyl)amino]-5-chloro-4-pyridinyl]-6-[(3-fluorophenyl)methylamino]pyridine-4-carboxamide (PubChem CID 66937229) has the molecular formula C24H26ClFN6O and a molecular weight of 468.96 g/mol. Its IUPAC name is 2-[2-[(4-aminocyclohexyl)amino]-5-chloro-4-pyridinyl]-6-[(3-fluorophenyl)methylamino]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[2-[(4-aminocyclohexyl)amino]-5-chloro-4-pyridinyl]-6-[(3-fluorophenyl)methylamino]pyridine-4-carboxamide
PubChem CID66937229
Molecular FormulaC24H26ClFN6O
Molecular Weight468.96 g/mol
Exact Mass468.18
IUPAC Name2-[2-[(4-aminocyclohexyl)amino]-5-chloro-4-pyridinyl]-6-[(3-fluorophenyl)methylamino]pyridine-4-carboxamide
SMILESNC(=O)c1cc(NCc2cccc(F)c2)nc(-c2cc(NC3CCC(N)CC3)ncc2Cl)c1
InChIInChI=1S/C24H26ClFN6O/c25-20-13-30-23(31-18-6-4-17(27)5-7-18)11-19(20)21-9-15(24(28)33)10-22(32-21)29-12-14-2-1-3-16(26)8-14/h1-3,8-11,13,17-18H,4-7,12,27H2,(H2,28,33)(H,29,32)(H,30,31)
InChIKeyWWVQLIDDZJGLTP-UHFFFAOYSA-N
XLogP4.33
TPSA118.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.96
LogP ≤ 54.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-aminocyclohexyl)amino]-5-chloro-4-pyridinyl]-6-[(3-fluorophenyl)methylamino]pyridine-4-carboxamide?
The IUPAC name of 2-[2-[(4-aminocyclohexyl)amino]-5-chloro-4-pyridinyl]-6-[(3-fluorophenyl)methylamino]pyridine-4-carboxamide (CID 66937229) is 2-[2-[(4-aminocyclohexyl)amino]-5-chloro-4-pyridinyl]-6-[(3-fluorophenyl)methylamino]pyridine-4-carboxamide.
What is the SMILES notation for 2-[2-[(4-aminocyclohexyl)amino]-5-chloro-4-pyridinyl]-6-[(3-fluorophenyl)methylamino]pyridine-4-carboxamide?
The canonical SMILES for 2-[2-[(4-aminocyclohexyl)amino]-5-chloro-4-pyridinyl]-6-[(3-fluorophenyl)methylamino]pyridine-4-carboxamide is NC(=O)c1cc(NCc2cccc(F)c2)nc(-c2cc(NC3CCC(N)CC3)ncc2Cl)c1.
What is the InChIKey of 2-[2-[(4-aminocyclohexyl)amino]-5-chloro-4-pyridinyl]-6-[(3-fluorophenyl)methylamino]pyridine-4-carboxamide?
The InChIKey is WWVQLIDDZJGLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN6O/c25-20-13-30-23(31-18-6-4-17(27)5-7-18)11-19(20)21-9-15(24(28)33)10-22(32-21)29-12-14-2-1-3-16(26)8-14/h1-3,8-11,13,17-18H,4-7,12,27H2,(H2,28,33)(H,29,32)(H,30,31).
What are the key properties of 2-[2-[(4-aminocyclohexyl)amino]-5-chloro-4-pyridinyl]-6-[(3-fluorophenyl)methylamino]pyridine-4-carboxamide?
2-[2-[(4-aminocyclohexyl)amino]-5-chloro-4-pyridinyl]-6-[(3-fluorophenyl)methylamino]pyridine-4-carboxamide has a molecular weight of 468.96 g/mol, XLogP of 4.33, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-aminocyclohexyl)amino]-5-chloro-4-pyridinyl]-6-[(3-fluorophenyl)methylamino]pyridine-4-carboxamide is sourced from PubChem (CID 66937229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).