N-[(2S)-1-[(3aS,7aR)-3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl]-4,4-dimethyl-1-oxopentan-2-yl]furan-3-carboxamide

C19H26N2O5 — CID 59791648

IUPACN-[(2S)-1-[(3aS,7aR)-3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl]-4,4-dimethyl-1-oxopentan-2-yl]furan-3-carboxamide
SMILESCC(C)(C)C[C@H](NC(=O)c1ccoc1)C(=O)N1CCC[C@H]2OCC(=O)[C@H]21
InChIInChI=1S/C19H26N2O5/c1-19(2,3)9-13(20-17(23)12-6-8-25-10-12)18(24)21-7-4-5-15-16(21)14(22)11-26-15/h6,8,10,13,15-16H,4-5,7,9,11H2,1-3H3,(H,20,23)/t13-,15+,16+/m0/s1
InChIKeyYXUOJAFGCSDEHA-NUEKZKHPSA-N
MW362.43 g/mol
LogP1.77
Rot. Bonds4

About N-[(2S)-1-[(3aS,7aR)-3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl]-4,4-dimethyl-1-oxopentan-2-yl]furan-3-carboxamide

N-[(2S)-1-[(3aS,7aR)-3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl]-4,4-dimethyl-1-oxopentan-2-yl]furan-3-carboxamide (PubChem CID 59791648) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[(2S)-1-[(3aS,7aR)-3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl]-4,4-dimethyl-1-oxopentan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(3aS,7aR)-3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl]-4,4-dimethyl-1-oxopentan-2-yl]furan-3-carboxamide
PubChem CID59791648
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC NameN-[(2S)-1-[(3aS,7aR)-3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl]-4,4-dimethyl-1-oxopentan-2-yl]furan-3-carboxamide
SMILESCC(C)(C)C[C@H](NC(=O)c1ccoc1)C(=O)N1CCC[C@H]2OCC(=O)[C@H]21
InChIInChI=1S/C19H26N2O5/c1-19(2,3)9-13(20-17(23)12-6-8-25-10-12)18(24)21-7-4-5-15-16(21)14(22)11-26-15/h6,8,10,13,15-16H,4-5,7,9,11H2,1-3H3,(H,20,23)/t13-,15+,16+/m0/s1
InChIKeyYXUOJAFGCSDEHA-NUEKZKHPSA-N
XLogP1.77
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-1-[(3aS,7aR)-3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl]-4,4-dimethyl-1-oxopentan-2-yl]furan-3-carboxamide with MolForge

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Related Compounds

N-[(2S)-3-cyclopentyl-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]furan-3-carboxamide
CID 91262379
N-[(2S)-1-[(3aS,7aR)-3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl]-4,4-dimethyl-1-oxopentan-2-yl]thiophene-3-carboxamide;sulfane
CID 162222449
N-[(2S)-1-[(3aS,7aR)-3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl]-3-cyclohexyl-1-oxopropan-2-yl]furan-3-carboxamide;sulfane
CID 159749756
N-[(2S)-1-[(3aS,7aR)-3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl]-3-cyclopentyl-1-oxopropan-2-yl]furan-3-carboxamide;methane;sulfane
CID 159867629
N-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4,4-dimethyl-1-oxopentan-2-yl]-4-(1-cyclobutylpiperidin-4-yl)benzamide
CID 66986596
N-[4-methyl-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)pentan-2-yl]-4-(trifluoromethyl)benzamide
CID 69052038
N-[(2S)-1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4,4-dimethyl-1-oxopentan-2-yl]-4-(1-propylpiperidin-4-yl)benzamide;sulfane
CID 158848205
4-(difluoromethoxy)-N-[4-methyl-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)pentan-2-yl]benzamide
CID 69052022
N-[(2S)-3-cyclohexyl-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]thiophene-3-carboxamide
CID 91597441
N-[3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]thiophene-3-carboxamide
CID 90950595
N-[3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-4-phenylbenzamide
CID 72563054
4-tert-butyl-N-[3-(4-methoxyphenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]benzamide
CID 69374920

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(3aS,7aR)-3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl]-4,4-dimethyl-1-oxopentan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[(2S)-1-[(3aS,7aR)-3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl]-4,4-dimethyl-1-oxopentan-2-yl]furan-3-carboxamide (CID 59791648) is N-[(2S)-1-[(3aS,7aR)-3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl]-4,4-dimethyl-1-oxopentan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-[(3aS,7aR)-3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl]-4,4-dimethyl-1-oxopentan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[(2S)-1-[(3aS,7aR)-3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl]-4,4-dimethyl-1-oxopentan-2-yl]furan-3-carboxamide is CC(C)(C)C[C@H](NC(=O)c1ccoc1)C(=O)N1CCC[C@H]2OCC(=O)[C@H]21.
What is the InChIKey of N-[(2S)-1-[(3aS,7aR)-3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl]-4,4-dimethyl-1-oxopentan-2-yl]furan-3-carboxamide?
The InChIKey is YXUOJAFGCSDEHA-NUEKZKHPSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-19(2,3)9-13(20-17(23)12-6-8-25-10-12)18(24)21-7-4-5-15-16(21)14(22)11-26-15/h6,8,10,13,15-16H,4-5,7,9,11H2,1-3H3,(H,20,23)/t13-,15+,16+/m0/s1.
What are the key properties of N-[(2S)-1-[(3aS,7aR)-3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl]-4,4-dimethyl-1-oxopentan-2-yl]furan-3-carboxamide?
N-[(2S)-1-[(3aS,7aR)-3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl]-4,4-dimethyl-1-oxopentan-2-yl]furan-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(3aS,7aR)-3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl]-4,4-dimethyl-1-oxopentan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 59791648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).