5-[(2-aminocyclohexyl)amino]-3-[[5-[3-(2,2-difluoro-1-hydroxyethyl)phenyl]-6-methyl-2-pyridinyl]amino]pyridine-2-carboxamide

C26H30F2N6O2 — CID 123408692

IUPAC5-[(2-aminocyclohexyl)amino]-3-[[5-[3-(2,2-difluoro-1-hydroxyethyl)phenyl]-6-methyl-2-pyridinyl]amino]pyridine-2-carboxamide
SMILESCc1nc(Nc2cc(NC3CCCCC3N)cnc2C(N)=O)ccc1-c1cccc(C(O)C(F)F)c1
InChIInChI=1S/C26H30F2N6O2/c1-14-18(15-5-4-6-16(11-15)24(35)25(27)28)9-10-22(32-14)34-21-12-17(13-31-23(21)26(30)36)33-20-8-3-2-7-19(20)29/h4-6,9-13,19-20,24-25,33,35H,2-3,7-8,29H2,1H3,(H2,30,36)(H,32,34)
InChIKeyZFJMKFVVNPSLJU-UHFFFAOYSA-N
MW496.56 g/mol
LogP4.27
Rot. Bonds8

About 5-[(2-aminocyclohexyl)amino]-3-[[5-[3-(2,2-difluoro-1-hydroxyethyl)phenyl]-6-methyl-2-pyridinyl]amino]pyridine-2-carboxamide

5-[(2-aminocyclohexyl)amino]-3-[[5-[3-(2,2-difluoro-1-hydroxyethyl)phenyl]-6-methyl-2-pyridinyl]amino]pyridine-2-carboxamide (PubChem CID 123408692) has the molecular formula C26H30F2N6O2 and a molecular weight of 496.56 g/mol. Its IUPAC name is 5-[(2-aminocyclohexyl)amino]-3-[[5-[3-(2,2-difluoro-1-hydroxyethyl)phenyl]-6-methyl-2-pyridinyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(2-aminocyclohexyl)amino]-3-[[5-[3-(2,2-difluoro-1-hydroxyethyl)phenyl]-6-methyl-2-pyridinyl]amino]pyridine-2-carboxamide
PubChem CID123408692
Molecular FormulaC26H30F2N6O2
Molecular Weight496.56 g/mol
Exact Mass496.24
IUPAC Name5-[(2-aminocyclohexyl)amino]-3-[[5-[3-(2,2-difluoro-1-hydroxyethyl)phenyl]-6-methyl-2-pyridinyl]amino]pyridine-2-carboxamide
SMILESCc1nc(Nc2cc(NC3CCCCC3N)cnc2C(N)=O)ccc1-c1cccc(C(O)C(F)F)c1
InChIInChI=1S/C26H30F2N6O2/c1-14-18(15-5-4-6-16(11-15)24(35)25(27)28)9-10-22(32-14)34-21-12-17(13-31-23(21)26(30)36)33-20-8-3-2-7-19(20)29/h4-6,9-13,19-20,24-25,33,35H,2-3,7-8,29H2,1H3,(H2,30,36)(H,32,34)
InChIKeyZFJMKFVVNPSLJU-UHFFFAOYSA-N
XLogP4.27
TPSA139.18 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.56
LogP ≤ 54.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-aminocyclohexyl)amino]-3-[[5-[3-(2,2-difluoro-1-hydroxyethyl)phenyl]-6-methyl-2-pyridinyl]amino]pyridine-2-carboxamide?
The IUPAC name of 5-[(2-aminocyclohexyl)amino]-3-[[5-[3-(2,2-difluoro-1-hydroxyethyl)phenyl]-6-methyl-2-pyridinyl]amino]pyridine-2-carboxamide (CID 123408692) is 5-[(2-aminocyclohexyl)amino]-3-[[5-[3-(2,2-difluoro-1-hydroxyethyl)phenyl]-6-methyl-2-pyridinyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[(2-aminocyclohexyl)amino]-3-[[5-[3-(2,2-difluoro-1-hydroxyethyl)phenyl]-6-methyl-2-pyridinyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[(2-aminocyclohexyl)amino]-3-[[5-[3-(2,2-difluoro-1-hydroxyethyl)phenyl]-6-methyl-2-pyridinyl]amino]pyridine-2-carboxamide is Cc1nc(Nc2cc(NC3CCCCC3N)cnc2C(N)=O)ccc1-c1cccc(C(O)C(F)F)c1.
What is the InChIKey of 5-[(2-aminocyclohexyl)amino]-3-[[5-[3-(2,2-difluoro-1-hydroxyethyl)phenyl]-6-methyl-2-pyridinyl]amino]pyridine-2-carboxamide?
The InChIKey is ZFJMKFVVNPSLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N6O2/c1-14-18(15-5-4-6-16(11-15)24(35)25(27)28)9-10-22(32-14)34-21-12-17(13-31-23(21)26(30)36)33-20-8-3-2-7-19(20)29/h4-6,9-13,19-20,24-25,33,35H,2-3,7-8,29H2,1H3,(H2,30,36)(H,32,34).
What are the key properties of 5-[(2-aminocyclohexyl)amino]-3-[[5-[3-(2,2-difluoro-1-hydroxyethyl)phenyl]-6-methyl-2-pyridinyl]amino]pyridine-2-carboxamide?
5-[(2-aminocyclohexyl)amino]-3-[[5-[3-(2,2-difluoro-1-hydroxyethyl)phenyl]-6-methyl-2-pyridinyl]amino]pyridine-2-carboxamide has a molecular weight of 496.56 g/mol, XLogP of 4.27, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-aminocyclohexyl)amino]-3-[[5-[3-(2,2-difluoro-1-hydroxyethyl)phenyl]-6-methyl-2-pyridinyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 123408692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).