N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-5-chloro-N-methyl-2-oxo-1H-pyridine-3-carboxamide

C15H18ClN3O3 — CID 135112274

IUPACN-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-5-chloro-N-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCN(C(=O)c1cc(Cl)c[nH]c1=O)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1
InChIInChI=1S/C15H18ClN3O3/c1-19(15(22)12-5-10(16)7-18-14(12)21)11-2-8-4-13(20)17-6-9(8)3-11/h5,7-9,11H,2-4,6H2,1H3,(H,17,20)(H,18,21)/t8-,9+,11-/m1/s1
InChIKeyOYZXKMTUTPLWQJ-WCABBAIRSA-N
MW323.78 g/mol
LogP1.01
Rot. Bonds2

About N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-5-chloro-N-methyl-2-oxo-1H-pyridine-3-carboxamide

N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-5-chloro-N-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 135112274) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-5-chloro-N-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-5-chloro-N-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID135112274
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC NameN-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-5-chloro-N-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCN(C(=O)c1cc(Cl)c[nH]c1=O)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1
InChIInChI=1S/C15H18ClN3O3/c1-19(15(22)12-5-10(16)7-18-14(12)21)11-2-8-4-13(20)17-6-9(8)3-11/h5,7-9,11H,2-4,6H2,1H3,(H,17,20)(H,18,21)/t8-,9+,11-/m1/s1
InChIKeyOYZXKMTUTPLWQJ-WCABBAIRSA-N
XLogP1.01
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-5-chloro-N-methyl-2-oxo-1H-pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-5-chloro-N-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-5-chloro-N-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 135112274) is N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-5-chloro-N-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-5-chloro-N-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-5-chloro-N-methyl-2-oxo-1H-pyridine-3-carboxamide is CN(C(=O)c1cc(Cl)c[nH]c1=O)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1.
What is the InChIKey of N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-5-chloro-N-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is OYZXKMTUTPLWQJ-WCABBAIRSA-N. The full InChI is InChI=1S/C15H18ClN3O3/c1-19(15(22)12-5-10(16)7-18-14(12)21)11-2-8-4-13(20)17-6-9(8)3-11/h5,7-9,11H,2-4,6H2,1H3,(H,17,20)(H,18,21)/t8-,9+,11-/m1/s1.
What are the key properties of N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-5-chloro-N-methyl-2-oxo-1H-pyridine-3-carboxamide?
N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-5-chloro-N-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 323.78 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-5-chloro-N-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 135112274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).