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

C20H26N4O3 — CID 135109487

IUPACN-[(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
SMILESCN1C[C@@H]2C[C@H](N(C)C(=O)c3cccc(N4CCNC4=O)c3)C[C@@H]2CC1=O
InChIInChI=1S/C20H26N4O3/c1-22-12-15-10-17(9-14(15)11-18(22)25)23(2)19(26)13-4-3-5-16(8-13)24-7-6-21-20(24)27/h3-5,8,14-15,17H,6-7,9-12H2,1-2H3,(H,21,27)/t14-,15+,17-/m1/s1
InChIKeyHAALTWBCOCKVKI-HLLBOEOZSA-N
MW370.45 g/mol
LogP1.55
Rot. Bonds3

About 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

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 (PubChem CID 135109487) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID135109487
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-[(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
SMILESCN1C[C@@H]2C[C@H](N(C)C(=O)c3cccc(N4CCNC4=O)c3)C[C@@H]2CC1=O
InChIInChI=1S/C20H26N4O3/c1-22-12-15-10-17(9-14(15)11-18(22)25)23(2)19(26)13-4-3-5-16(8-13)24-7-6-21-20(24)27/h3-5,8,14-15,17H,6-7,9-12H2,1-2H3,(H,21,27)/t14-,15+,17-/m1/s1
InChIKeyHAALTWBCOCKVKI-HLLBOEOZSA-N
XLogP1.55
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1C[C@@H]2C[C@H](N(C)C(=O)c3cccc(N4CCNC4=O)c3)C[C@@H]2CC1=O.
What is the InChIKey of 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?
The InChIKey is HAALTWBCOCKVKI-HLLBOEOZSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-22-12-15-10-17(9-14(15)11-18(22)25)23(2)19(26)13-4-3-5-16(8-13)24-7-6-21-20(24)27/h3-5,8,14-15,17H,6-7,9-12H2,1-2H3,(H,21,27)/t14-,15+,17-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 370.45 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 135109487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).