N-[6-amino-5-(3,3-difluorocyclohexyl)-3-hydroxy-6-oxo-1-pyridin-3-ylhexan-2-yl]quinoxaline-2-carboxamide

C26H29F2N5O3 — CID 159447883

IUPACN-[6-amino-5-(3,3-difluorocyclohexyl)-3-hydroxy-6-oxo-1-pyridin-3-ylhexan-2-yl]quinoxaline-2-carboxamide
SMILESNC(=O)C(CC(O)C(Cc1cccnc1)NC(=O)c1cnc2ccccc2n1)C1CCCC(F)(F)C1
InChIInChI=1S/C26H29F2N5O3/c27-26(28)9-3-6-17(13-26)18(24(29)35)12-23(34)21(11-16-5-4-10-30-14-16)33-25(36)22-15-31-19-7-1-2-8-20(19)32-22/h1-2,4-5,7-8,10,14-15,17-18,21,23,34H,3,6,9,11-13H2,(H2,29,35)(H,33,36)
InChIKeyLSZJBLALOWEUJN-UHFFFAOYSA-N
MW497.55 g/mol
LogP3.04
Rot. Bonds9

About N-[6-amino-5-(3,3-difluorocyclohexyl)-3-hydroxy-6-oxo-1-pyridin-3-ylhexan-2-yl]quinoxaline-2-carboxamide

N-[6-amino-5-(3,3-difluorocyclohexyl)-3-hydroxy-6-oxo-1-pyridin-3-ylhexan-2-yl]quinoxaline-2-carboxamide (PubChem CID 159447883) has the molecular formula C26H29F2N5O3 and a molecular weight of 497.55 g/mol. Its IUPAC name is N-[6-amino-5-(3,3-difluorocyclohexyl)-3-hydroxy-6-oxo-1-pyridin-3-ylhexan-2-yl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[6-amino-5-(3,3-difluorocyclohexyl)-3-hydroxy-6-oxo-1-pyridin-3-ylhexan-2-yl]quinoxaline-2-carboxamide
PubChem CID159447883
Molecular FormulaC26H29F2N5O3
Molecular Weight497.55 g/mol
Exact Mass497.22
IUPAC NameN-[6-amino-5-(3,3-difluorocyclohexyl)-3-hydroxy-6-oxo-1-pyridin-3-ylhexan-2-yl]quinoxaline-2-carboxamide
SMILESNC(=O)C(CC(O)C(Cc1cccnc1)NC(=O)c1cnc2ccccc2n1)C1CCCC(F)(F)C1
InChIInChI=1S/C26H29F2N5O3/c27-26(28)9-3-6-17(13-26)18(24(29)35)12-23(34)21(11-16-5-4-10-30-14-16)33-25(36)22-15-31-19-7-1-2-8-20(19)32-22/h1-2,4-5,7-8,10,14-15,17-18,21,23,34H,3,6,9,11-13H2,(H2,29,35)(H,33,36)
InChIKeyLSZJBLALOWEUJN-UHFFFAOYSA-N
XLogP3.04
TPSA131.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.55
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

N-[(2S,3S,5S)-6-amino-5-cycloheptyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl]quinoxaline-2-carboxamide
CID 57143878
N-[(2S,3S,5R)-5-[(4,4-difluorocyclohexyl)methyl]-3-hydroxy-6-(methylamino)-6-oxo-1-phenylhexan-2-yl]quinoxaline-2-carboxamide
CID 54355559
N-[5-(4,4-difluorocyclohexyl)-3-hydroxy-6-(hydroxyamino)-6-oxo-1-thiophen-2-ylhexan-2-yl]quinoxaline-2-carboxamide
CID 57245047
N-[(2S,3S,5R)-6-amino-3-hydroxy-5-[(4-methoxyphenyl)methyl]-6-oxo-1-phenylhexan-2-yl]quinoxaline-2-carboxamide
CID 57012011
N-[(2S,3S,5S)-3-hydroxy-6-(hydroxyamino)-5-(1-hydroxycycloheptyl)-6-oxo-1-phenylhexan-2-yl]quinoxaline-2-carboxamide
CID 56980513
N-[(2S,3S,5R)-1-(4,4-difluorocyclohexyl)-3-hydroxy-8-methyl-5-(methylcarbamoyl)nonan-2-yl]quinoxaline-2-carboxamide
CID 57252109
N-[(2S,3S,5S)-5-carbamoyl-3-hydroxy-1-phenyl-6-propylnonan-2-yl]quinoxaline-2-carboxamide
CID 57100835
N-[5-carbamoyl-8-fluoro-3-hydroxy-8-methyl-1-[3-(trifluoromethoxy)phenyl]nonan-2-yl]quinoxaline-2-carboxamide
CID 57217920
N-(6-amino-5-cyclohexyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl)-5,6-dichloropyridine-3-carboxamide
CID 22452505
N-[(2S,3S,5R)-5-carbamoyl-3,8-dihydroxy-8-methyl-1-naphthalen-2-ylnonan-2-yl]quinoxaline-2-carboxamide
CID 56996151
N-[3-hydroxy-6-(hydroxyamino)-5-(4-hydroxy-2,6-dimethyloxan-4-yl)-6-oxo-1-[3-(trifluoromethoxy)phenyl]hexan-2-yl]quinoxaline-2-carboxamide
CID 54510938
N-[(2S)-1-aminopropan-2-yl]quinoxaline-2-carboxamide
CID 120507243

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-5-(3,3-difluorocyclohexyl)-3-hydroxy-6-oxo-1-pyridin-3-ylhexan-2-yl]quinoxaline-2-carboxamide?
The IUPAC name of N-[6-amino-5-(3,3-difluorocyclohexyl)-3-hydroxy-6-oxo-1-pyridin-3-ylhexan-2-yl]quinoxaline-2-carboxamide (CID 159447883) is N-[6-amino-5-(3,3-difluorocyclohexyl)-3-hydroxy-6-oxo-1-pyridin-3-ylhexan-2-yl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[6-amino-5-(3,3-difluorocyclohexyl)-3-hydroxy-6-oxo-1-pyridin-3-ylhexan-2-yl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[6-amino-5-(3,3-difluorocyclohexyl)-3-hydroxy-6-oxo-1-pyridin-3-ylhexan-2-yl]quinoxaline-2-carboxamide is NC(=O)C(CC(O)C(Cc1cccnc1)NC(=O)c1cnc2ccccc2n1)C1CCCC(F)(F)C1.
What is the InChIKey of N-[6-amino-5-(3,3-difluorocyclohexyl)-3-hydroxy-6-oxo-1-pyridin-3-ylhexan-2-yl]quinoxaline-2-carboxamide?
The InChIKey is LSZJBLALOWEUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N5O3/c27-26(28)9-3-6-17(13-26)18(24(29)35)12-23(34)21(11-16-5-4-10-30-14-16)33-25(36)22-15-31-19-7-1-2-8-20(19)32-22/h1-2,4-5,7-8,10,14-15,17-18,21,23,34H,3,6,9,11-13H2,(H2,29,35)(H,33,36).
What are the key properties of N-[6-amino-5-(3,3-difluorocyclohexyl)-3-hydroxy-6-oxo-1-pyridin-3-ylhexan-2-yl]quinoxaline-2-carboxamide?
N-[6-amino-5-(3,3-difluorocyclohexyl)-3-hydroxy-6-oxo-1-pyridin-3-ylhexan-2-yl]quinoxaline-2-carboxamide has a molecular weight of 497.55 g/mol, XLogP of 3.04, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-5-(3,3-difluorocyclohexyl)-3-hydroxy-6-oxo-1-pyridin-3-ylhexan-2-yl]quinoxaline-2-carboxamide is sourced from PubChem (CID 159447883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).