N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-1,3-dihydro-2-benzofuran-4-carboxamide

C19H24N2O3 — CID 162636497

IUPACN-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-1,3-dihydro-2-benzofuran-4-carboxamide
SMILESCN1C[C@H]2C[C@@H](N(C)C(=O)c3cccc4c3COC4)C[C@H]2CC1=O
InChIInChI=1S/C19H24N2O3/c1-20-9-14-7-15(6-13(14)8-18(20)22)21(2)19(23)16-5-3-4-12-10-24-11-17(12)16/h3-5,13-15H,6-11H2,1-2H3/t13-,14+,15-/m0/s1
InChIKeyFSTNVCGRBSYIPR-ZNMIVQPWSA-N
MW328.41 g/mol
LogP2.05
Rot. Bonds2

About N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-1,3-dihydro-2-benzofuran-4-carboxamide

N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-1,3-dihydro-2-benzofuran-4-carboxamide (PubChem CID 162636497) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-1,3-dihydro-2-benzofuran-4-carboxamide.

Molecular Properties

Compound NameN-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-1,3-dihydro-2-benzofuran-4-carboxamide
PubChem CID162636497
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-1,3-dihydro-2-benzofuran-4-carboxamide
SMILESCN1C[C@H]2C[C@@H](N(C)C(=O)c3cccc4c3COC4)C[C@H]2CC1=O
InChIInChI=1S/C19H24N2O3/c1-20-9-14-7-15(6-13(14)8-18(20)22)21(2)19(23)16-5-3-4-12-10-24-11-17(12)16/h3-5,13-15H,6-11H2,1-2H3/t13-,14+,15-/m0/s1
InChIKeyFSTNVCGRBSYIPR-ZNMIVQPWSA-N
XLogP2.05
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N,2-dimethyl-5-sulfamoylbenzamide
CID 135117420
N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-3-(aminomethyl)-N-methylbenzamide
CID 134711871
N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-2-ethoxy-N-methylpyridine-3-carboxamide
CID 162628560
N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-4-[methyl(methylsulfonyl)amino]benzamide
CID 134702333
N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-3-propan-2-yloxybenzamide
CID 134703177
N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-3-chloro-N-methylpyridine-4-carboxamide
CID 134696883
N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N,3-dimethylpyridine-2-carboxamide
CID 157011004
N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-6-amino-N-methylpyridine-3-carboxamide
CID 162626481
N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-4-propoxybenzamide
CID 162632505
N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
CID 135109487
N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-3-chloro-N,5-dimethylbenzamide
CID 134711890
N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
CID 135120447

Frequently Asked Questions

What is the IUPAC name of N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-1,3-dihydro-2-benzofuran-4-carboxamide?
The IUPAC name of N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-1,3-dihydro-2-benzofuran-4-carboxamide (CID 162636497) is N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-1,3-dihydro-2-benzofuran-4-carboxamide.
What is the SMILES notation for N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-1,3-dihydro-2-benzofuran-4-carboxamide?
The canonical SMILES for N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-1,3-dihydro-2-benzofuran-4-carboxamide is CN1C[C@H]2C[C@@H](N(C)C(=O)c3cccc4c3COC4)C[C@H]2CC1=O.
What is the InChIKey of N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-1,3-dihydro-2-benzofuran-4-carboxamide?
The InChIKey is FSTNVCGRBSYIPR-ZNMIVQPWSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-20-9-14-7-15(6-13(14)8-18(20)22)21(2)19(23)16-5-3-4-12-10-24-11-17(12)16/h3-5,13-15H,6-11H2,1-2H3/t13-,14+,15-/m0/s1.
What are the key properties of N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-1,3-dihydro-2-benzofuran-4-carboxamide?
N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-1,3-dihydro-2-benzofuran-4-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-1,3-dihydro-2-benzofuran-4-carboxamide is sourced from PubChem (CID 162636497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).