2-amino-N-cyclohexyl-5-[4-[1-(4,4-difluorocyclohexyl)pyrrolidin-3-yl]phenyl]pyridine-3-carboxamide;ethane

C30H42F2N4O — CID 145445440

IUPAC2-amino-N-cyclohexyl-5-[4-[1-(4,4-difluorocyclohexyl)pyrrolidin-3-yl]phenyl]pyridine-3-carboxamide;ethane
SMILESCC.Nc1ncc(-c2ccc(C3CCN(C4CCC(F)(F)CC4)C3)cc2)cc1C(=O)NC1CCCCC1
InChIInChI=1S/C28H36F2N4O.C2H6/c29-28(30)13-10-24(11-14-28)34-15-12-21(18-34)19-6-8-20(9-7-19)22-16-25(26(31)32-17-22)27(35)33-23-4-2-1-3-5-23;1-2/h6-9,16-17,21,23-24H,1-5,10-15,18H2,(H2,31,32)(H,33,35);1-2H3
InChIKeyUEPVCMDJFOAXHY-UHFFFAOYSA-N
MW512.69 g/mol
LogP6.79
Rot. Bonds5

About 2-amino-N-cyclohexyl-5-[4-[1-(4,4-difluorocyclohexyl)pyrrolidin-3-yl]phenyl]pyridine-3-carboxamide;ethane

2-amino-N-cyclohexyl-5-[4-[1-(4,4-difluorocyclohexyl)pyrrolidin-3-yl]phenyl]pyridine-3-carboxamide;ethane (PubChem CID 145445440) has the molecular formula C30H42F2N4O and a molecular weight of 512.69 g/mol. Its IUPAC name is 2-amino-N-cyclohexyl-5-[4-[1-(4,4-difluorocyclohexyl)pyrrolidin-3-yl]phenyl]pyridine-3-carboxamide;ethane.

Molecular Properties

Compound Name2-amino-N-cyclohexyl-5-[4-[1-(4,4-difluorocyclohexyl)pyrrolidin-3-yl]phenyl]pyridine-3-carboxamide;ethane
PubChem CID145445440
Molecular FormulaC30H42F2N4O
Molecular Weight512.69 g/mol
Exact Mass512.33
IUPAC Name2-amino-N-cyclohexyl-5-[4-[1-(4,4-difluorocyclohexyl)pyrrolidin-3-yl]phenyl]pyridine-3-carboxamide;ethane
SMILESCC.Nc1ncc(-c2ccc(C3CCN(C4CCC(F)(F)CC4)C3)cc2)cc1C(=O)NC1CCCCC1
InChIInChI=1S/C28H36F2N4O.C2H6/c29-28(30)13-10-24(11-14-28)34-15-12-21(18-34)19-6-8-20(9-7-19)22-16-25(26(31)32-17-22)27(35)33-23-4-2-1-3-5-23;1-2/h6-9,16-17,21,23-24H,1-5,10-15,18H2,(H2,31,32)(H,33,35);1-2H3
InChIKeyUEPVCMDJFOAXHY-UHFFFAOYSA-N
XLogP6.79
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.69
LogP ≤ 56.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-[4-[1-(4,4-difluorocyclohexyl)pyrrolidin-3-yl]phenyl]-N-(4-methylcyclohexyl)pyridine-3-carboxamide;ethane
CID 145445475
2-amino-N-cyclohexyl-5-[4-[1-(1-oxothian-4-yl)pyrrolidin-3-yl]phenyl]pyridine-3-carboxamide
CID 166798751
2-amino-5-[4-(2-azaspiro[3.3]heptan-2-ylmethyl)phenyl]-N-cyclohexylpyridine-3-carboxamide
CID 134202894
2-amino-5-(4-carbamoylphenyl)-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide;ethane;methanamine
CID 160968052
2-amino-5-[4-[1-(2-fluoroethyl)pyrrolidin-3-yl]phenyl]-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)pyridine-3-carboxamide
CID 134203030
2-amino-N-(oxan-4-yl)-5-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyridine-3-carboxamide
CID 169087569
2-amino-N-(4-hydroxycyclohexyl)-5-[4-[(1R,5S)-3-(1-methylsulfonylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide
CID 134202950
2-amino-N-(4-methylcyclohexyl)-5-phenylpyridine-3-carboxamide
CID 134202942
2-amino-N-(4-hydroxy-4-methylcyclohexyl)-5-[4-[(1R,5S)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide
CID 138628902
2-amino-N-(4-hydroxycyclohexyl)-5-[4-[3-(3-methyloxiran-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide
CID 172689518
2-amino-N-(4-hydroxycyclohexyl)-5-[4-[(3R,4S)-1-(2-methoxyethyl)-4-methylpyrrolidin-3-yl]phenyl]pyridine-3-carboxamide
CID 155136660
2-amino-5-[4-[3-(2,2-difluoropropyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide
CID 138628942

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclohexyl-5-[4-[1-(4,4-difluorocyclohexyl)pyrrolidin-3-yl]phenyl]pyridine-3-carboxamide;ethane?
The IUPAC name of 2-amino-N-cyclohexyl-5-[4-[1-(4,4-difluorocyclohexyl)pyrrolidin-3-yl]phenyl]pyridine-3-carboxamide;ethane (CID 145445440) is 2-amino-N-cyclohexyl-5-[4-[1-(4,4-difluorocyclohexyl)pyrrolidin-3-yl]phenyl]pyridine-3-carboxamide;ethane.
What is the SMILES notation for 2-amino-N-cyclohexyl-5-[4-[1-(4,4-difluorocyclohexyl)pyrrolidin-3-yl]phenyl]pyridine-3-carboxamide;ethane?
The canonical SMILES for 2-amino-N-cyclohexyl-5-[4-[1-(4,4-difluorocyclohexyl)pyrrolidin-3-yl]phenyl]pyridine-3-carboxamide;ethane is CC.Nc1ncc(-c2ccc(C3CCN(C4CCC(F)(F)CC4)C3)cc2)cc1C(=O)NC1CCCCC1.
What is the InChIKey of 2-amino-N-cyclohexyl-5-[4-[1-(4,4-difluorocyclohexyl)pyrrolidin-3-yl]phenyl]pyridine-3-carboxamide;ethane?
The InChIKey is UEPVCMDJFOAXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36F2N4O.C2H6/c29-28(30)13-10-24(11-14-28)34-15-12-21(18-34)19-6-8-20(9-7-19)22-16-25(26(31)32-17-22)27(35)33-23-4-2-1-3-5-23;1-2/h6-9,16-17,21,23-24H,1-5,10-15,18H2,(H2,31,32)(H,33,35);1-2H3.
What are the key properties of 2-amino-N-cyclohexyl-5-[4-[1-(4,4-difluorocyclohexyl)pyrrolidin-3-yl]phenyl]pyridine-3-carboxamide;ethane?
2-amino-N-cyclohexyl-5-[4-[1-(4,4-difluorocyclohexyl)pyrrolidin-3-yl]phenyl]pyridine-3-carboxamide;ethane has a molecular weight of 512.69 g/mol, XLogP of 6.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclohexyl-5-[4-[1-(4,4-difluorocyclohexyl)pyrrolidin-3-yl]phenyl]pyridine-3-carboxamide;ethane is sourced from PubChem (CID 145445440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).