3-amino-6-(2,6-difluorophenyl)-N-[4-(3-hydroxy-5-methylcyclohexen-1-yl)-3-pyridinyl]pyridine-2-carboxamide

C24H22F2N4O2 — CID 46178459

IUPAC3-amino-6-(2,6-difluorophenyl)-N-[4-(3-hydroxy-5-methylcyclohexen-1-yl)-3-pyridinyl]pyridine-2-carboxamide
SMILESCC1CC(c2ccncc2NC(=O)c2nc(-c3c(F)cccc3F)ccc2N)=CC(O)C1
InChIInChI=1S/C24H22F2N4O2/c1-13-9-14(11-15(31)10-13)16-7-8-28-12-21(16)30-24(32)23-19(27)5-6-20(29-23)22-17(25)3-2-4-18(22)26/h2-8,11-13,15,31H,9-10,27H2,1H3,(H,30,32)
InChIKeyJSWXHRIKDWHCOW-UHFFFAOYSA-N
MW436.46 g/mol
LogP4.43
Rot. Bonds4

About 3-amino-6-(2,6-difluorophenyl)-N-[4-(3-hydroxy-5-methylcyclohexen-1-yl)-3-pyridinyl]pyridine-2-carboxamide

3-amino-6-(2,6-difluorophenyl)-N-[4-(3-hydroxy-5-methylcyclohexen-1-yl)-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 46178459) has the molecular formula C24H22F2N4O2 and a molecular weight of 436.46 g/mol. Its IUPAC name is 3-amino-6-(2,6-difluorophenyl)-N-[4-(3-hydroxy-5-methylcyclohexen-1-yl)-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(2,6-difluorophenyl)-N-[4-(3-hydroxy-5-methylcyclohexen-1-yl)-3-pyridinyl]pyridine-2-carboxamide
PubChem CID46178459
Molecular FormulaC24H22F2N4O2
Molecular Weight436.46 g/mol
Exact Mass436.17
IUPAC Name3-amino-6-(2,6-difluorophenyl)-N-[4-(3-hydroxy-5-methylcyclohexen-1-yl)-3-pyridinyl]pyridine-2-carboxamide
SMILESCC1CC(c2ccncc2NC(=O)c2nc(-c3c(F)cccc3F)ccc2N)=CC(O)C1
InChIInChI=1S/C24H22F2N4O2/c1-13-9-14(11-15(31)10-13)16-7-8-28-12-21(16)30-24(32)23-19(27)5-6-20(29-23)22-17(25)3-2-4-18(22)26/h2-8,11-13,15,31H,9-10,27H2,1H3,(H,30,32)
InChIKeyJSWXHRIKDWHCOW-UHFFFAOYSA-N
XLogP4.43
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2,6-difluorophenyl)-N-[4-(3-hydroxy-5-methylcyclohexen-1-yl)-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-(2,6-difluorophenyl)-N-[4-(3-hydroxy-5-methylcyclohexen-1-yl)-3-pyridinyl]pyridine-2-carboxamide (CID 46178459) is 3-amino-6-(2,6-difluorophenyl)-N-[4-(3-hydroxy-5-methylcyclohexen-1-yl)-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(2,6-difluorophenyl)-N-[4-(3-hydroxy-5-methylcyclohexen-1-yl)-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-(2,6-difluorophenyl)-N-[4-(3-hydroxy-5-methylcyclohexen-1-yl)-3-pyridinyl]pyridine-2-carboxamide is CC1CC(c2ccncc2NC(=O)c2nc(-c3c(F)cccc3F)ccc2N)=CC(O)C1.
What is the InChIKey of 3-amino-6-(2,6-difluorophenyl)-N-[4-(3-hydroxy-5-methylcyclohexen-1-yl)-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is JSWXHRIKDWHCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O2/c1-13-9-14(11-15(31)10-13)16-7-8-28-12-21(16)30-24(32)23-19(27)5-6-20(29-23)22-17(25)3-2-4-18(22)26/h2-8,11-13,15,31H,9-10,27H2,1H3,(H,30,32).
What are the key properties of 3-amino-6-(2,6-difluorophenyl)-N-[4-(3-hydroxy-5-methylcyclohexen-1-yl)-3-pyridinyl]pyridine-2-carboxamide?
3-amino-6-(2,6-difluorophenyl)-N-[4-(3-hydroxy-5-methylcyclohexen-1-yl)-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 436.46 g/mol, XLogP of 4.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2,6-difluorophenyl)-N-[4-(3-hydroxy-5-methylcyclohexen-1-yl)-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 46178459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).