2-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-(pyridin-3-ylmethyl)acetamide

C24H29N3O4 — CID 162790503

IUPAC2-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CC1CC2OC(CNC3Cc4ccccc4C3)C(O)C2O1)NCc1cccnc1
InChIInChI=1S/C24H29N3O4/c28-22(27-13-15-4-3-7-25-12-15)11-19-10-20-24(30-19)23(29)21(31-20)14-26-18-8-16-5-1-2-6-17(16)9-18/h1-7,12,18-21,23-24,26,29H,8-11,13-14H2,(H,27,28)
InChIKeyBYMAPFVCRPJJCP-UHFFFAOYSA-N
MW423.51 g/mol
LogP1.13
Rot. Bonds7

About 2-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-(pyridin-3-ylmethyl)acetamide

2-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 162790503) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is 2-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID162790503
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name2-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CC1CC2OC(CNC3Cc4ccccc4C3)C(O)C2O1)NCc1cccnc1
InChIInChI=1S/C24H29N3O4/c28-22(27-13-15-4-3-7-25-12-15)11-19-10-20-24(30-19)23(29)21(31-20)14-26-18-8-16-5-1-2-6-17(16)9-18/h1-7,12,18-21,23-24,26,29H,8-11,13-14H2,(H,27,28)
InChIKeyBYMAPFVCRPJJCP-UHFFFAOYSA-N
XLogP1.13
TPSA92.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-(pyridin-3-ylmethyl)acetamide with MolForge

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Related Compounds

2-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propylacetamide
CID 163075630
2-[5-[[(4,4-difluorocyclohexyl)amino]methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 162903937
2-[(2R,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 163134585
2-[(2S,3aR,5R,6R,6aR)-6-hydroxy-5-[[[(1R,3R)-3-methylcyclohexyl]amino]methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 100661657
2-[3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 74735286
N-[[(2S,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]oxolan-2-yl]methyl]-2-ethylbutanamide
CID 162965648
2-[(2S,3aS,6aS)-5-benzyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(pyridin-3-ylmethyl)acetamide;bis(2,2,2-trifluoroacetic acid)
CID 155850352
2-[(2S,3aS,6aS)-5-(oxan-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 97474317
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 79607003
2-[(2S,3R,4S,5S)-3,4-dihydroxy-5-[[(4-methylphenyl)carbamoylamino]methyl]oxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 162942227
N-[[(2S,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]oxolan-2-yl]methyl]-4-(dimethylamino)benzamide
CID 162808102
N-(pyridin-3-ylmethyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
CID 112509693

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 162790503) is 2-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-(pyridin-3-ylmethyl)acetamide is O=C(CC1CC2OC(CNC3Cc4ccccc4C3)C(O)C2O1)NCc1cccnc1.
What is the InChIKey of 2-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is BYMAPFVCRPJJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c28-22(27-13-15-4-3-7-25-12-15)11-19-10-20-24(30-19)23(29)21(31-20)14-26-18-8-16-5-1-2-6-17(16)9-18/h1-7,12,18-21,23-24,26,29H,8-11,13-14H2,(H,27,28).
What are the key properties of 2-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-(pyridin-3-ylmethyl)acetamide?
2-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 423.51 g/mol, XLogP of 1.13, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 162790503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).