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

C24H26ClFN6O — CID 66937219

IUPAC6-[2-[(4-aminocyclohexyl)amino]-5-chloro-4-pyridinyl]-2-[(3-fluorophenyl)methylamino]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(-c2cc(NC3CCC(N)CC3)ncc2Cl)nc1NCc1cccc(F)c1
InChIInChI=1S/C24H26ClFN6O/c25-20-13-29-22(31-17-6-4-16(27)5-7-17)11-19(20)21-9-8-18(23(28)33)24(32-21)30-12-14-2-1-3-15(26)10-14/h1-3,8-11,13,16-17H,4-7,12,27H2,(H2,28,33)(H,29,31)(H,30,32)
InChIKeyZMZAKBCAMLVUNN-UHFFFAOYSA-N
MW468.96 g/mol
LogP4.33
Rot. Bonds7

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

6-[2-[(4-aminocyclohexyl)amino]-5-chloro-4-pyridinyl]-2-[(3-fluorophenyl)methylamino]pyridine-3-carboxamide (PubChem CID 66937219) has the molecular formula C24H26ClFN6O and a molecular weight of 468.96 g/mol. Its IUPAC name is 6-[2-[(4-aminocyclohexyl)amino]-5-chloro-4-pyridinyl]-2-[(3-fluorophenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-[(4-aminocyclohexyl)amino]-5-chloro-4-pyridinyl]-2-[(3-fluorophenyl)methylamino]pyridine-3-carboxamide
PubChem CID66937219
Molecular FormulaC24H26ClFN6O
Molecular Weight468.96 g/mol
Exact Mass468.18
IUPAC Name6-[2-[(4-aminocyclohexyl)amino]-5-chloro-4-pyridinyl]-2-[(3-fluorophenyl)methylamino]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(-c2cc(NC3CCC(N)CC3)ncc2Cl)nc1NCc1cccc(F)c1
InChIInChI=1S/C24H26ClFN6O/c25-20-13-29-22(31-17-6-4-16(27)5-7-17)11-19(20)21-9-8-18(23(28)33)24(32-21)30-12-14-2-1-3-15(26)10-14/h1-3,8-11,13,16-17H,4-7,12,27H2,(H2,28,33)(H,29,31)(H,30,32)
InChIKeyZMZAKBCAMLVUNN-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 6-[2-[(4-aminocyclohexyl)amino]-5-chloro-4-pyridinyl]-2-[(3-fluorophenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of 6-[2-[(4-aminocyclohexyl)amino]-5-chloro-4-pyridinyl]-2-[(3-fluorophenyl)methylamino]pyridine-3-carboxamide (CID 66937219) is 6-[2-[(4-aminocyclohexyl)amino]-5-chloro-4-pyridinyl]-2-[(3-fluorophenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-[(4-aminocyclohexyl)amino]-5-chloro-4-pyridinyl]-2-[(3-fluorophenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-[(4-aminocyclohexyl)amino]-5-chloro-4-pyridinyl]-2-[(3-fluorophenyl)methylamino]pyridine-3-carboxamide is NC(=O)c1ccc(-c2cc(NC3CCC(N)CC3)ncc2Cl)nc1NCc1cccc(F)c1.
What is the InChIKey of 6-[2-[(4-aminocyclohexyl)amino]-5-chloro-4-pyridinyl]-2-[(3-fluorophenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is ZMZAKBCAMLVUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN6O/c25-20-13-29-22(31-17-6-4-16(27)5-7-17)11-19(20)21-9-8-18(23(28)33)24(32-21)30-12-14-2-1-3-15(26)10-14/h1-3,8-11,13,16-17H,4-7,12,27H2,(H2,28,33)(H,29,31)(H,30,32).
What are the key properties of 6-[2-[(4-aminocyclohexyl)amino]-5-chloro-4-pyridinyl]-2-[(3-fluorophenyl)methylamino]pyridine-3-carboxamide?
6-[2-[(4-aminocyclohexyl)amino]-5-chloro-4-pyridinyl]-2-[(3-fluorophenyl)methylamino]pyridine-3-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 6-[2-[(4-aminocyclohexyl)amino]-5-chloro-4-pyridinyl]-2-[(3-fluorophenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 66937219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).